TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 494.369 | Formula: C26H21Cl2N3O3
H donors: 1 H acceptors: 3 LogP: 5.04 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNC(=O)c2cc(cnc2c2cccnc2)c2cc(Cl)cc(c2)Cl)ccc1OC
InChi: 1S/C26H21Cl2N3O3/c1-33-23-6-5-16(8-24(23)34-2)13-31-26(32)22-11-19(18-9-20(27)12-21(28)10-18)15-30-25(22)17-4-3-7-29-14-17/h3-12,14-15H,13H2,1-2H3,(H,31,32)
InChiKey: VDWKDBPHAPPUBO-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hypocretin (orexin) receptor 2	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	hypocretin (orexin) receptor 1	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 1b (5-HT1b) receptor	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, mu 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Get druggable targets OG5_141128	All targets in OG5_141128
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	G protein coupled receptor 139	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus multilocularis	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Echinococcus granulosus	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus granulosus	hypothetical protein	Get druggable targets OG5_144688	All targets in OG5_144688
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus multilocularis	conserved hypothetical protein	Get druggable targets OG5_144688	All targets in OG5_144688
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04165 Oamb gene product from transcript, putative	Get druggable targets OG5_141128	All targets in OG5_141128
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Brugia malayi	Serotonin/octopamine receptor family protein 7	Get druggable targets OG5_141128	All targets in OG5_141128

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04255 opsin 4 (melanopsin), putative	Serotonin 1b (5-HT1b) receptor	386 aa	359 aa	22.0 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1b (5-HT1b) receptor	386 aa	356 aa	29.2 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Serotonin 1b (5-HT1b) receptor	386 aa	355 aa	24.2 %
Onchocerca volvulus		Serotonin 1b (5-HT1b) receptor	386 aa	368 aa	20.7 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1b (5-HT1b) receptor	386 aa	358 aa	25.4 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1b (5-HT1b) receptor	386 aa	328 aa	22.3 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1b (5-HT1b) receptor	386 aa	390 aa	20.8 %
Brugia malayi	sulfakinin receptor protein	Serotonin 1b (5-HT1b) receptor	386 aa	344 aa	23.3 %
Echinococcus granulosus	sex peptide receptor	hypocretin (orexin) receptor 1	425 aa	350 aa	23.4 %
Onchocerca volvulus	Forkhead box protein biniou homolog	Serotonin 1b (5-HT1b) receptor	386 aa	333 aa	21.3 %
Onchocerca volvulus		Serotonin 1b (5-HT1b) receptor	386 aa	381 aa	30.2 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1b (5-HT1b) receptor	386 aa	381 aa	19.9 %
Echinococcus multilocularis	neuropeptide receptor	Serotonin 1b (5-HT1b) receptor	386 aa	331 aa	21.4 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1b (5-HT1b) receptor	386 aa	365 aa	23.8 %
Schistosoma mansoni	dro/myosuppressin receptor	Serotonin 1b (5-HT1b) receptor	386 aa	334 aa	24.0 %
Onchocerca volvulus	26S proteasome non-ATPase regulatory subunit 1 homolog	Serotonin 1b (5-HT1b) receptor	386 aa	371 aa	26.1 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1b (5-HT1b) receptor	386 aa	310 aa	21.6 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Serotonin 1b (5-HT1b) receptor	386 aa	355 aa	24.2 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1b (5-HT1b) receptor	386 aa	381 aa	22.6 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1b (5-HT1b) receptor	386 aa	394 aa	20.8 %
Brugia malayi	GnHR receptor homolog	Serotonin 1b (5-HT1b) receptor	386 aa	335 aa	21.8 %
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1b (5-HT1b) receptor	386 aa	352 aa	34.7 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1b (5-HT1b) receptor	386 aa	333 aa	37.2 %
Onchocerca volvulus		Serotonin 1b (5-HT1b) receptor	386 aa	354 aa	20.1 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1b (5-HT1b) receptor	386 aa	320 aa	23.1 %
Echinococcus granulosus	neuropeptide receptor	Serotonin 1b (5-HT1b) receptor	386 aa	331 aa	21.8 %
Schistosoma mansoni	amine GPCR	Serotonin 1b (5-HT1b) receptor	386 aa	392 aa	26.0 %
Onchocerca volvulus		Serotonin 1b (5-HT1b) receptor	386 aa	338 aa	34.0 %
Echinococcus granulosus	dro:myosuppressin receptor	Serotonin 1b (5-HT1b) receptor	386 aa	349 aa	18.6 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1b (5-HT1b) receptor	386 aa	363 aa	24.0 %
Onchocerca volvulus		Serotonin 1b (5-HT1b) receptor	386 aa	333 aa	21.0 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1b (5-HT1b) receptor	386 aa	328 aa	22.9 %
Onchocerca volvulus	Phospholipase d-related homolog	Serotonin 1b (5-HT1b) receptor	386 aa	350 aa	18.6 %
Echinococcus multilocularis	dro:myosuppressin receptor	Serotonin 1b (5-HT1b) receptor	386 aa	349 aa	18.6 %
Onchocerca volvulus		Serotonin 1b (5-HT1b) receptor	386 aa	363 aa	34.4 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Serotonin 1b (5-HT1b) receptor	386 aa	332 aa	21.7 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Serotonin 1b (5-HT1b) receptor	386 aa	344 aa	33.4 %
Echinococcus multilocularis	serotonin receptor	Serotonin 1b (5-HT1b) receptor	386 aa	393 aa	32.3 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Serotonin 1b (5-HT1b) receptor	386 aa	331 aa	30.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	neuropeptide receptor A26	0.0019	0.0027	0.0088
Echinococcus granulosus	neuropeptide FF receptor 2	0.0019	0.0027	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0376	0.1387	0.1385
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.022	0.0792	0.2532
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0027	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0137	0.0134
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.022	0.0792	1
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.022	0.0792	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0124	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.0027	0.0088
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0019	0.0027	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0102	0.0099
Leishmania major	hypothetical protein, conserved	0.022	0.0792	1
Echinococcus multilocularis	neuropeptide receptor	0.0019	0.0027	0.0088
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0004	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.022	0.0792	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Brugia malayi	G-protein coupled receptor	0.0019	0.0027	0.0171
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.022	0.0792	0.2532
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.0027	0.0027
Brugia malayi	GnHR receptor homolog	0.0019	0.0027	0.0171
Schistosoma mansoni	hypothetical protein	0.0019	0.0027	0.0027
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0019	0.0027	0.0027
Echinococcus granulosus	raf serine:threonine protein kinase	0.0222	0.0801	0.2504
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0019	0.0027	0.0027
Schistosoma mansoni	NAD dehydrogenase	0.022	0.0792	0.0792
Schistosoma mansoni	hypothetical protein	0.0019	0.0027	0.0027
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.2638	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0376	0.1387	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0027	0.0088
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0019	0.0027	0.0027
Brugia malayi	putative neuropeptide receptor	0.0019	0.0027	0.0171
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0036	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0027	0.0025
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0019	0.0027	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.022	0.0792	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Schistosoma mansoni	neuropeptide f receptor 76f	0.0019	0.0027	0.0027
Chlamydia trachomatis	D-amino acid dehydrogenase	0.022	0.0792	0.5
Brugia malayi	Dopamine receptor protein 2	0.0019	0.0027	0.0171
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0027	0.0086
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.0027	0.0086
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0027	0.0088
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0019	0.0027	0.0027
Schistosoma mansoni	myosin xvIII	0.0019	0.0027	0.0027
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0124	0.0871
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0036	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0019	0.0027	0.0086
Schistosoma mansoni	fad oxidoreductase	0.022	0.0792	0.0792
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Leishmania major	hypothetical protein, conserved	0.022	0.0792	1
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.0027	0.0086
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0019	0.0027	0.0088
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.022	0.0792	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0019	0.0027	0.0171
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.0027	0.0088
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0027	0.0027
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0019	0.0027	0.0171
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0027	0.0088
Brugia malayi	G protein-coupled receptor F59B2.13	0.0019	0.0027	0.0171
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0013	0.0003	0.0008
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Echinococcus multilocularis	orexin receptor type 2	0.0019	0.0027	0.0088
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Schistosoma mansoni	hypothetical protein	0.0019	0.0027	0.0027
Schistosoma mansoni	amine GPCR	0.0019	0.0027	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Echinococcus granulosus	roundabout 2	0.0015	0.0012	0.0037
Schistosoma mansoni	opsin-like receptor	0.0019	0.0027	0.0027
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.022	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0222	0.0801	0.2562
Brugia malayi	G protein-coupled receptor	0.0019	0.0027	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	protein patched	0.0048	0.0137	0.0438
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Loa Loa (eye worm)	hypothetical protein	0.022	0.0792	0.0789
Echinococcus granulosus	biogenic amine 5HT receptor	0.0166	0.0587	0.1835
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.022	0.0792	0.0792
Loa Loa (eye worm)	hypothetical protein	0.022	0.0792	0.0789
Echinococcus granulosus	fmrfamide receptor	0.0019	0.0027	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Onchocerca volvulus	Tyrosine kinase homolog	0.0145	0.0508	0.6293
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0027	0.0027
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0019	0.0027	0.0025
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.014	0.014
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.022	0.0792	1
Schistosoma mansoni	cell adhesion molecule	0.0013	0.0003	0.0003
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.0027	0.0086
Brugia malayi	Dopamine receptor protein 1	0.0019	0.0027	0.0171
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.0349	0.1092
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0113	0.0386	0.0386
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0019	0.0027	0.0088
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0019	0.0027	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0012	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0113	0.7633
Schistosoma mansoni	histamine h1 receptor	0.0019	0.0027	0.0027
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.022	0.0792	1
Brugia malayi	cDNA sequence BC016226	0.022	0.0792	0.5697
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0124	0.0397
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Schistosoma mansoni	hypothetical protein	0.0046	0.013	0.013
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0004	0.0011
Loa Loa (eye worm)	melatonin receptor type 1A	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0019	0.0027	0.0086
Brugia malayi	neuropeptide F receptor	0.0019	0.0027	0.0171
Echinococcus multilocularis	G protein coupled receptor 139	0.0143	0.0497	0.1591
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0004	0.0004
Echinococcus granulosus	orexin receptor type 2	0.0019	0.0027	0.0086
Brugia malayi	RE15519p	0.0019	0.0027	0.0171
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0027	0.0086
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.022	0.0792	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0027	0.0086
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0019	0.0027	0.0025
Toxoplasma gondii	hypothetical protein	0.022	0.0792	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0004	0.0012
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0163	0.052
Loa Loa (eye worm)	TYRA-2 protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0019	0.0027	0.0088
Brugia malayi	follicle stimulating hormone receptor	0.0019	0.0027	0.0171
Echinococcus multilocularis	g-protein coupled receptor	0.0019	0.0027	0.0088
Schistosoma mansoni	patched 1	0.0048	0.0137	0.0137
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.022	0.0792	1
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Echinococcus granulosus	allatostatin A receptor	0.0019	0.0027	0.0086
Echinococcus multilocularis	neuropeptide s receptor	0.0019	0.0027	0.0088
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0019	0.0027	0.0086
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.022	0.0792	0.0792
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.022	0.0792	0.0759
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0137	0.0438
Echinococcus granulosus	Niemann Pick C1 protein	0.0112	0.038	0.1186
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.0349	0.0349
Echinococcus granulosus	hypothetical protein	0.0852	0.32	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0137	0.0134
Schistosoma mansoni	ap endonuclease	0.0021	0.0036	0.0036
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0104	0.0349	0.2499
Onchocerca volvulus		0.0141	0.0492	0.6075
Echinococcus granulosus	sex peptide receptor	0.0019	0.0027	0.0086
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.022	0.0792	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0027	0.0027
Echinococcus multilocularis	somatostatin receptor	0.0019	0.0027	0.0088
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0019	0.0027	0.0088
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.0027	0.0027
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0166	0.0587	0.0587
Brugia malayi	CHE-14 protein	0.0048	0.0137	0.0963
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.022	0.0792	0.0789
Schistosoma mansoni	d-amino acid oxidase	0.2638	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0019	0.0027	0.0086
Echinococcus multilocularis	Niemann Pick C1 protein	0.016	0.0562	0.1797
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0019	0.0027	0.0086
Echinococcus granulosus	neuropeptide receptor A26	0.0019	0.0027	0.0086
Schistosoma mansoni	amine GPCR	0.0019	0.0027	0.0027
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0004	0.0011
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0027	0.0086
Schistosoma mansoni	neuropeptide receptor	0.0143	0.0497	0.0497
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.022	0.0792	1
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0027	0.0027
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0156	0.0547	0.0545
Echinococcus granulosus	tm gpcr rhodopsin	0.0019	0.0027	0.0086
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.0027	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0587	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0012	0.0009
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0376	0.1387	0.1387
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0027	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	Niemann Pick C1 protein	0.0112	0.038	0.1214
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0126	0.0436	0.0434
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.014	0.014
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Loa Loa (eye worm)	raf kinase	0.022	0.0794	0.0791
Schistosoma mansoni	hypothetical protein	0.0046	0.013	0.013
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0019	0.0027	0.0027
Schistosoma mansoni	hypothetical protein	0.0046	0.013	0.013
Schistosoma mansoni	amine GPCR	0.0019	0.0027	0.0027
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0019	0.0027	0.0088
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0137	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Onchocerca volvulus	Putative fad oxidoreductase	0.022	0.0792	1
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.022	0.0792	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.0349	0.0349
Schistosoma mansoni	neuropeptide F-like receptor	0.0019	0.0027	0.0027
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.022	0.0792	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.0349	0.0349
Brugia malayi	sulfakinin receptor protein	0.0019	0.0027	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0376	0.1387	0.1385
Echinococcus granulosus	neuropeptide receptor	0.0019	0.0027	0.0086
Schistosoma mansoni	opsin-like receptor	0.0019	0.0027	0.0027
Brugia malayi	ORL1-like opioid receptor	0.0019	0.0027	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0113	0.7633
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0036	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.0349	0.1117
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0019	0.0027	0.0088
Echinococcus granulosus	serotonin receptor	0.0019	0.0027	0.0086
Schistosoma mansoni	amine GPCR	0.0019	0.0027	0.0027
Echinococcus granulosus	neuropeptide Y receptor	0.0019	0.0027	0.0086
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.022	0.0792	0.0759
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.2418	0.9163	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0019	0.0027	0.0171
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.022	0.0792	0.5697
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0019	0.0027	0.0027
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0027	0.0086
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0156	0.0547	0.3929
Brugia malayi	larval opioid receptor	0.0019	0.0027	0.0171
Echinococcus granulosus	G protein coupled receptor 139	0.0019	0.0027	0.0086
Brugia malayi	Melatonin receptor type 1A	0.0019	0.0027	0.0171
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0019	0.0027	0.0027
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0019	0.0027	0.0171
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0019	0.0027	0.0027
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.022	0.0792	0.5697
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0587	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0019	0.0027	0.0088
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0019	0.0027	0.0086
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0019	0.0027	0.0171
Brugia malayi	RE18450p	0.022	0.0792	0.5697
Loa Loa (eye worm)	hypothetical protein	0.0112	0.038	0.0377
Brugia malayi	Serotonin receptor	0.0019	0.0027	0.0171
Echinococcus granulosus	7tm_1 domain containing protein	0.0019	0.0027	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.022	0.0792	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0104	0.0349	0.0347
Schistosoma mansoni	adenoreceptor	0.0019	0.0027	0.0027
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0137	0.0428
Brugia malayi	G-protein coupled receptor	0.0019	0.0027	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	roundabout 2	0.0015	0.0012	0.0038
Echinococcus multilocularis	conserved hypothetical protein	0.0833	0.3127	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0019	0.0027	0.0027
Echinococcus granulosus	neuropeptide receptor	0.0143	0.0497	0.1554
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0027	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.0349	0.1092
Brugia malayi	Serotonin receptor	0.0019	0.0027	0.0171
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.022	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0137	1
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.0027	0.0088
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0004	0.0001
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.0349	0.1117
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0019	0.0027	0.0088
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.022	0.0792	1
Schistosoma mansoni	neuropeptide receptor	0.0019	0.0027	0.0027
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.2638	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.016	0.0562	0.1756
Echinococcus multilocularis	neuropeptide receptor	0.0143	0.0497	0.1591
Schistosoma mansoni	hypothetical protein	0.0046	0.013	0.013
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0019	0.0027	0.0088
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Schistosoma mansoni	vesicular amine transporter	0.0012	0.0002	0.0002
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0019	0.0027	0.0171
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.022	0.0792	0.2474
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0027	0.0025
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0027	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0019	0.0027	0.0086
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.022	0.0792	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0027	0.0086
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0019	0.0027	0.0025
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.022	0.0792	1
Echinococcus multilocularis	allatostatin A receptor	0.0019	0.0027	0.0088
Brugia malayi	hypothetical protein	0.0019	0.0027	0.0171
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Schistosoma mansoni	biogenic amine receptor	0.0019	0.0027	0.0027
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0019	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	neuropeptide Y receptor	0.0019	0.0027	0.0088
Brugia malayi	Niemann-Pick C1 protein precursor	0.0112	0.038	0.2717
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0124	0.0388
Echinococcus multilocularis	serotonin receptor	0.0166	0.0587	0.1878
Loa Loa (eye worm)	neuropeptide F receptor	0.0019	0.0027	0.0025
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.022	0.0792	1
Echinococcus granulosus	g protein coupled receptor	0.0019	0.0027	0.0086
Echinococcus granulosus	biogenic amine 5HT receptor	0.0019	0.0027	0.0086
Echinococcus granulosus	neuropeptide s receptor	0.0019	0.0027	0.0086
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0019	0.0027	0.0025
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.022	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Brugia malayi	Dopamine receptor	0.0019	0.0027	0.0171
Schistosoma mansoni	fad oxidoreductase	0.022	0.0792	0.0792
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0019	0.0027	0.0025
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.0027	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Brugia malayi	neuropeptide F receptor	0.0019	0.0027	0.0171
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0036	0.0232
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.022	0.0792	0.2474
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0027	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0178	0.0175
Echinococcus granulosus	g-protein coupled receptor	0.0019	0.0027	0.0086
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.022	0.0792	0.0759
Echinococcus multilocularis	expressed conserved protein	0.0105	0.0354	0.1131
Echinococcus granulosus	7TM GPCR rhodopsin	0.0019	0.0027	0.0086
Schistosoma mansoni	opsin-like receptor	0.0019	0.0027	0.0027
Brugia malayi	AKH receptor	0.0019	0.0027	0.0171
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0112	0.038	0.4547
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.022	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0019	0.0027	0.0027
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0019	0.0027	0.0088
Schistosoma mansoni	ap endonuclease	0.0021	0.0036	0.0036
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0019	0.0027	0.0086
Echinococcus granulosus	somatostatin receptor	0.0019	0.0027	0.0086
Echinococcus multilocularis	sex peptide receptor	0.0019	0.0027	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus granulosus	dro:myosuppressin receptor	0.0019	0.0027	0.0086
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0019	0.0027	0.0027
Schistosoma mansoni	amine GPCR	0.0019	0.0027	0.0027
Brugia malayi	Raf kinase	0.0215	0.0772	0.5552
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0019	0.0027	0.0027
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0027	0.0025
Echinococcus multilocularis	neuropeptides capa receptor	0.0019	0.0027	0.0088
Echinococcus granulosus	expressed conserved protein	0.0105	0.0354	0.1105
Echinococcus multilocularis	dro:myosuppressin receptor	0.0019	0.0027	0.0088
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0036	0.0114
Echinococcus multilocularis	serotonin receptor	0.0166	0.0587	0.1878
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0027	0.0086
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.022	0.0792	0.0828
Echinococcus granulosus	rhodopsin orphan GPCR	0.0019	0.0027	0.0086
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0019	0.0027	0.0088
Echinococcus multilocularis	fmrfamide receptor	0.0019	0.0027	0.0088
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.022	0.0792	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0019	0.0027	0.0025
Schistosoma mansoni	hypothetical protein	0.0019	0.0027	0.0027
Echinococcus multilocularis	g protein coupled receptor	0.0019	0.0027	0.0088
Schistosoma mansoni	serine/threonine protein kinase	0.0222	0.0801	0.0801

Activities

Activity type	Activity value	Assay description	Source	Reference
Fu (ADMET)	= 3.2 %	Fraction unbound in human plasma by equilibrium dialysis method	ChEMBL.	24215892
IC50 (functional)	= 12 nM	Antagonist activity at human orexin-2 receptor assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 30 mins by cell-based FLIPR assay	ChEMBL.	24215892
IC50 (functional)	= 292 nM	Antagonist activity at human orexin-1 receptor assessed as inhibition of orexin-A-induced intracellular calcium mobilization after 30 mins by cell-based FLIPR assay	ChEMBL.	24215892
IC50 (binding)	= 1.04 uM	Inhibition of human 5-HT2B receptor	ChEMBL.	24215892
IC50 (binding)	= 2.3 uM	Inhibition of human 5-HT1A receptor	ChEMBL.	24215892
IC50 (binding)	= 2.4 uM	Inhibition of rat 5-HT1B receptor	ChEMBL.	24215892
IC50 (binding)	= 5.02 uM	Inhibition of human mu opioid receptor	ChEMBL.	24215892
IC50 (binding)	= 6.95 uM	Inhibition of human ERG	ChEMBL.	24215892
IC50 (binding)	= 9.54 uM	Inhibition of human dopamine D3 receptor	ChEMBL.	24215892
Inhibition (binding)	= -29 %	Inhibition of human MAPK14 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -20 %	Inhibition of human NR1a/NR2a receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -19 %	Inhibition of human 5-HT2C receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -17 %	Inhibition of human NET at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -17 %	Inhibition of human COX-1 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -16 %	Inhibition of human insulin receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -15 %	Inhibition of human SERT at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -14 %	Inhibition of human COX-2 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -12 %	Inhibition of human AChE at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -11 %	Inhibition of human histamine H2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -10 %	Inhibition of human CGRP1 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -10 %	Inhibition of human bradykinin B2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -10 %	Inhibition of human ECE-1 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -8 %	Inhibition of human 5-HT6 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -8 %	Inhibition of human muscarinic M2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -8 %	Inhibition of human PDE5 at 100 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -8 %	Inhibition of human cathepsin G at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -7 %	Inhibition of human DAT at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -7 %	Inhibition of human ERbeta receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -6 %	Inhibition of human MMP-12 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -5 %	Inhibition of rat insulin receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -5 %	Inhibition of human SRC at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -5 %	Inhibition of human neutral endopeptidase at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -4 %	Inhibition of rat 5-HT1B receptor at 10 nM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -4 %	Inhibition of human CCKB receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -3 %	Inhibition of rat TRH receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -3 %	Inhibition of human SST2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -3 %	Inhibition of human 5-HT3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -3 %	Inhibition of human mu opioid receptor at 10 nM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -3 %	Inhibition of human mu opioid receptor at 0.1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -3 %	Inhibition of human histamine H3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -3 %	Inhibition of rat tyrosine hydroxylase at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -2 %	Inhibition of human prostanoid IP receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -2 %	Inhibition of human muscarinic M3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -2 %	Inhibition of human dopamine D2S receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -2 %	Inhibition of human neutrophil elastase 2 at 30 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -1 %	Inhibition of human CD45 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -1 %	Inhibition of human caspase 8 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -1 %	Inhibition of human caspase 3 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= -1 %	Inhibition of rat nNOS at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 0 %	Inhibition of human V2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 0 %	Inhibition of human V1A receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 0 %	Inhibition of human neuropeptide YY2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 0 %	Inhibition of human muscarinic M1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 0 %	Inhibition of rat IP3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 0 %	Inhibition of human CXCR2 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 0 %	Inhibition of human PDE3 at 100 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 1 %	Inhibition of human muscarinic M5 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 1 %	Inhibition of guinea pig atrial natriuretic factor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 1 %	Inhibition of human PTP1B at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 1 %	Inhibition of human caspase 7 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 1 %	Inhibition of rat NMDA receptor agonist binding site at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 2 %	Inhibition of human 5-HT1A receptor at 10 nM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 2 %	Inhibition of human MC3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 2 %	Inhibition of human dopamine D1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 2 %	Inhibition of human CB2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 2 %	Inhibition of mouse iNOS at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 3 %	Inhibition of human PPARgamma at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 3 %	Inhibition of human ERG at 10 nM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 3 %	Inhibition of human GAL1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 3 %	Inhibition of human dopamine D5 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 3 %	Inhibition of human dopamine D4.4 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 3 %	Inhibition of human dopamine D3 receptor at 0.1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 3 %	Inhibition of human bradykinin B1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 4 %	Inhibition of human ETA receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 4 %	Inhibition of human TCPTP at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 4 %	Inhibition of human PDE2 at 100 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 4 %	Inhibition of human MMP-1 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 4 %	Inhibition of human caspase 1 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 5 %	Inhibition of human SST4 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 5 %	Inhibition of human PPARalpha at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 5 %	Inhibition of human dopamine D3 receptor at 10 nM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 5 %	Inhibition of human alpha2C adrenergic receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 5 %	Inhibition of human PDE4 at 100 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 5 %	Inhibition of rat NMDA receptor phencyclidine binding site at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 6 %	Inhibition of human VIP1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 6 %	Inhibition of human 5-HT2B receptor at 10 nM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 6 %	Inhibition of human 5-HT2B receptor at 0.1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 6 %	Inhibition of human MC4 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 6 %	Inhibition of human GAL2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 7 %	Inhibition of human muscarinic M4 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 7 %	Inhibition of human EGF at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 7 %	Inhibition of rat androgen receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 7 %	Inhibition of human caspase 6 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 8 %	Inhibition of human delta opioid receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 8 %	Inhibition of human ETB receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 8 %	Inhibition of human adenosine A2A receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of rat 5-HT1B receptor at 0.1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of rat potassium channel [SKCA] at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human ORL1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human kappa opioid receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human MC5 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human CysLT1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human histamine H4 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human CCKA receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human calcitonin receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of human beta1 adrenergic receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 9 %	Inhibition of rat NMDA receptor glycine binding site at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 10 %	Inhibition of human 5-HT1A receptor at 0.1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 10 %	Inhibition of human prostanoid EP1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 10 %	Inhibition of human histamine H1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 10 %	Inhibition of human CB1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 10 %	Inhibition of human EGF receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 10 %	Inhibition of human MAPK3 at 100 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 11 %	Inhibition of human CCR5 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 11 %	Inhibition of human 12-lipoxygenase at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 12 %	Inhibition of human ERG at 0.1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 13 %	Inhibition of human NK3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 14 %	Inhibition of human SST5 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 14 %	Inhibition of human SST1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 14 %	Inhibition of human oxytocin receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 14 %	Inhibition of human GABA alpha5beta3gamma2 receptor muscimol binding site at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 14 %	Inhibition of human angiotensin AT1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 16 %	Inhibition of human prostanoid DP receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 17 %	Inhibition of human thromboxane A2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 17 %	Inhibition of human ERG at 1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 18 %	Inhibition of human GABA alpha5beta3gamma2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 18 %	Inhibition of human angiotensin AT2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 19 %	Inhibition of human prostanoid FP receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 19 %	Inhibition of human prostanoid EP4 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 19 %	Inhibition of human prostanoid EP3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 19 %	Inhibition of human dopamine D3 receptor at 1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 19 %	Inhibition of human alpha2A adrenergic receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 20 %	Inhibition of human ERalpha receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 20 %	Inhibition of human FLT1 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 21 %	Inhibition of human NT1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 21 %	Inhibition of human GABA alpha1beta3gamma2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 21 %	Inhibition of human CCR1 at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 22 %	Inhibition of guinea pig 5-HT4 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 22 %	Inhibition of human adenosine A1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 23 %	Inhibition of human neuropeptide YY1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 23 %	Inhibition of human beta2 adrenergic receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 24 %	Inhibition of human beta3 adrenergic receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 25 %	Inhibition of human NK2 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 26 %	Inhibition of human NK1 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 26 %	Inhibition of human mu opioid receptor at 1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 26 %	Inhibition of human alpha1D adrenergic receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 29 %	Inhibition of human PRKCA at 100 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 30 %	Inhibition of human SST3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 30 %	Inhibition of rat 5-HT1B receptor at 1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 31 %	Inhibition of human PAF receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 31 %	Inhibition of human MAO-B at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 33 %	Inhibition of human adenosine A3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 34 %	Inhibition of human alpha2B adrenergic receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 39 %	Inhibition of human GABA alpha1beta3gamma2 receptor muscimol binding site at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 41 %	Inhibition of human 5-HT1A receptor at 1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 41 %	Inhibition of human MAO-A at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 44 %	Inhibition of human 5-lipoxygenase at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 51 %	Inhibition of human dopamine D3 receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 52 %	Inhibition of human 5-HT2B receptor at 1 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 58 %	Inhibition of human ERG at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 62 %	Inhibition of human mu opioid receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 69 %	Inhibition of human 5-HT1A receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 73 %	Inhibition of rat 5-HT1B receptor at 10 uM relative to control	ChEMBL.	24215892
Inhibition (binding)	= 84 %	Inhibition of human 5-HT2B receptor at 10 uM relative to control	ChEMBL.	24215892
Ki (binding)	= 0.07 nM	Displacement of [3H]SB-674042 from human orexin-2 receptor after 60 mins by scintillation counting analysis	ChEMBL.	24215892
Ki (binding)	= 94.5 nM	Displacement of [3H]SB-674042 from human orexin-1 receptor after 60 mins by scintillation counting analysis	ChEMBL.	24215892
Ki (binding)	= 0.662 uM	Inhibition of human 5-HT2B receptor	ChEMBL.	24215892
Ki (binding)	= 1.31 uM	Inhibition of human 5-HT1A receptor	ChEMBL.	24215892
Ki (binding)	= 2.04 uM	Inhibition of human mu opioid receptor	ChEMBL.	24215892
Ki (binding)	= 2.28 uM	Inhibition of rat 5-HT1B receptor	ChEMBL.	24215892
Ki (binding)	= 3.24 uM	Inhibition of human dopamine D3 receptor	ChEMBL.	24215892
Ratio (ADMET)	= 6.4	Activity at human MDR1 expressed in pig LLC-PK cells assessed as efflux ratio of permeability from basolateral to apical side over apical to basolateral side	ChEMBL.	24215892

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL3099899

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1820706