TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 430.994 | Formula: C22H27ClN4OS
H donors: 1 H acceptors: 2 LogP: 5.08 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1)NCCCCN1CCN(CC1)c1nsc2c1cccc2.Cl
InChi: 1S/C22H26N4OS.ClH/c27-22(18-8-2-1-3-9-18)23-12-6-7-13-25-14-16-26(17-15-25)21-19-10-4-5-11-20(19)28-24-21;/h1-5,8-11H,6-7,12-17H2,(H,23,27);1H
InChiKey: KKPSHDOACNZGNT-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
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 2 (5-HT2) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	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
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cpg binding protein	0.003	0.021	0.0367
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0063	0.0094
Schistosoma mansoni	integrin alpha-ps	0.0105	0.1317	0.2056
Onchocerca volvulus	Huntingtin homolog	0.0134	0.176	0.4895
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0742	0.0742
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0505	0.0882
Trypanosoma cruzi	trypanothione reductase, putative	0.0042	0.0391	0.1034
Onchocerca volvulus		0.0037	0.0309	0.0804
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0257	0.357	1
Loa Loa (eye worm)	hypothetical protein	0.0339	0.4789	0.4789
Brugia malayi	Thioredoxin reductase	0.0042	0.0391	0.0611
Schistosoma mansoni	biogenic amine (5HT) receptor	0.016	0.2139	0.334
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0348	0.9949
Echinococcus multilocularis	caspase 2	0.0017	0.0024	0.0043
Echinococcus granulosus	thioredoxin glutathione reductase	0.0043	0.0399	0.0697
Brugia malayi	Inositol-1	0.0039	0.035	0.0546
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0257	0.357	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0216	0.2974	0.4643
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.035	0.0918
Echinococcus granulosus	muscleblind protein	0.0164	0.2197	0.3832
Echinococcus multilocularis	tumor protein p63	0.0371	0.5263	0.9178
Leishmania major	hypothetical protein, conserved	0.0039	0.0348	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0348	0.0348
Onchocerca volvulus		0.0054	0.0572	0.1544
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0348	0.0348
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0017	0.0024	0.0038
Leishmania major	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0257	0.357	0.6226
Echinococcus multilocularis	caspase	0.0017	0.0024	0.0043
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0348	0.09
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0348	0.09
Plasmodium falciparum	glutathione reductase	0.0042	0.0391	0.1034
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0203	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0348	0.0348
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0063	0.0109
Echinococcus granulosus	dnaJ subfamily B	0.0403	0.5734	1
Trypanosoma brucei	trypanothione reductase	0.0042	0.0391	0.1034
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0741	0.1292
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0348	0.09
Schistosoma mansoni	hypothetical protein	0.0171	0.2294	0.3581
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0042	0.0391	0.102
Echinococcus granulosus	caspase 2	0.0017	0.0024	0.0043
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0107	0.1348	0.3725
Brugia malayi	MH1 domain containing protein	0.0017	0.0014	0.0022
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0037	0.0309	0.079
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0063	0.0099
Echinococcus granulosus	biogenic amine 5HT receptor	0.016	0.2139	0.3731
Echinococcus granulosus	dna polymerase eta	0.002	0.0063	0.011
Brugia malayi	beta-lactamase	0.0039	0.0348	0.0544
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0096	0.119	0.3276
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0348	0.09
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0257	0.357	1
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0257	0.357	0.6226
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0741	0.1157
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0742	0.1293
Schistosoma mansoni	hypothetical protein	0.0066	0.0741	0.1157
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0063	0.0099
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0257	0.357	1
Echinococcus granulosus	lamin dm0	0.0029	0.0203	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0142	0.187	0.187
Echinococcus granulosus	integrin alpha ps	0.0201	0.2743	0.4785
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0037	0.0309	0.0804
Brugia malayi	latrophilin 2 splice variant baaae	0.0142	0.187	0.292
Echinococcus multilocularis	neuroligin	0.0037	0.0309	0.054
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0742	0.1158
Leishmania major	trypanothione reductase	0.0042	0.0391	0.1034
Schistosoma mansoni	lamin	0.0029	0.0203	0.0316
Brugia malayi	Carboxylesterase family protein	0.0037	0.0309	0.0483
Schistosoma mansoni	hypothetical protein	0.0066	0.0741	0.1157
Brugia malayi	MH1 domain containing protein	0.0017	0.0014	0.0022
Echinococcus multilocularis	muscleblind protein 1	0.0164	0.2197	0.3832
Echinococcus multilocularis	musashi	0.0029	0.0203	0.0353
Echinococcus multilocularis	integrin alpha ps	0.0201	0.2743	0.4785
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0017	0.0024	0.0043
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0742	0.1158
Mycobacterium ulcerans	lipase LipD	0.0039	0.0348	0.9949
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0037	0.0309	0.054
Echinococcus multilocularis	caspase 8	0.0017	0.0024	0.0043
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0257	0.357	1
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0348	0.09
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.035	0.0918
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0037	0.0309	0.079
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0257	0.357	1
Trichomonas vaginalis	esterase, putative	0.0039	0.0348	0.0914
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0741	0.1292
Echinococcus multilocularis	lamin dm0	0.0029	0.0203	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0309	0.0309
Giardia lamblia	Hypothetical protein	0.0056	0.0593	0.1511
Brugia malayi	RNA binding protein	0.0066	0.0742	0.1158
Onchocerca volvulus		0.0029	0.0203	0.0503
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0096	0.119	0.3276
Loa Loa (eye worm)	guanylate kinase	0.0039	0.0352	0.0352
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Echinococcus multilocularis	para nitrobenzyl esterase	0.0037	0.0309	0.054
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0257	0.357	0.6226
Schistosoma mansoni	Smad4	0.0017	0.0014	0.0022
Echinococcus multilocularis	Smad4	0.0017	0.0014	0.0025
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0037	0.0309	0.0483
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0063	0.0099
Schistosoma mansoni	integrin alpha	0.0448	0.6405	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.035	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0309	0.0309
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0742	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0348	0.0348
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0257	0.357	0.5573
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0024	0.0024
Echinococcus multilocularis	lamin	0.0029	0.0203	0.0353
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0741	0.1292
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0257	0.357	0.6226
Schistosoma mansoni	hypothetical protein	0.0066	0.0741	0.1157
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0096	0.119	0.3276
Schistosoma mansoni	cpg binding protein	0.003	0.021	0.0329
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0.0063	0.0109
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0348	0.0914
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0348	0.0914
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0656	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1194	0.1194
Leishmania major	eukaryotic initiation factor 4a, putative	0.0257	0.357	1
Onchocerca volvulus		0.0039	0.0348	0.0914
Schistosoma mansoni	caspase-7 (C14 family)	0.0017	0.0024	0.0038
Brugia malayi	Carboxylesterase family protein	0.0037	0.0309	0.0483
Schistosoma mansoni	smad	0.0017	0.0014	0.0022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0505	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0134	0.176	0.176
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0037	0.0309	0.054
Brugia malayi	Smad1	0.0017	0.0014	0.0022
Loa Loa (eye worm)	thioredoxin reductase	0.0042	0.0391	0.0391
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0348	0.09
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0014	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0257	0.357	0.357
Echinococcus granulosus	tumor protein p63	0.0371	0.5263	0.9178
Echinococcus granulosus	acetylcholinesterase	0.0216	0.2974	0.5187
Onchocerca volvulus		0.0037	0.0309	0.0804
Plasmodium vivax	glutathione reductase, putative	0.0042	0.0391	0.1034
Schistosoma mansoni	cpg binding protein	0.003	0.021	0.0329
Brugia malayi	Carboxylesterase family protein	0.0216	0.2974	0.4643
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0505	0.0882
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.035	0.0918
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Schistosoma mansoni	cell polarity protein	0.0048	0.0473	0.0739
Brugia malayi	MH2 domain containing protein	0.0017	0.0014	0.0022
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Schistosoma mansoni	gliotactin	0.0037	0.0309	0.0483
Schistosoma mansoni	hypothetical protein	0.0142	0.187	0.292
Loa Loa (eye worm)	hypothetical protein	0.0164	0.2197	0.2197
Echinococcus multilocularis	integrin alpha 3	0.0343	0.4856	0.8469
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.035	0.061
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0348	0.09
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0014	0.0022
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0208	0.2844	0.4439
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0257	0.357	0.5573
Loa Loa (eye worm)	carboxylesterase	0.0037	0.0309	0.0309
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0063	0.011
Loa Loa (eye worm)	glutathione reductase	0.0042	0.0391	0.0391
Echinococcus multilocularis	dna polymerase eta	0.002	0.0063	0.011
Loa Loa (eye worm)	inositol-1	0.0039	0.035	0.035
Loa Loa (eye worm)	hypothetical protein	0.002	0.0063	0.0063
Brugia malayi	Carboxylesterase family protein	0.0037	0.0309	0.0483
Schistosoma mansoni	hypothetical protein	0.0066	0.0741	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2974	0.2974
Echinococcus granulosus	ferritin	0.0018	0.003	0.0052
Echinococcus multilocularis	acetylcholinesterase	0.0216	0.2974	0.5187
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0348	0.0544
Echinococcus granulosus	carboxylesterase 5A	0.0216	0.2974	0.5187
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Echinococcus granulosus	cpg binding protein	0.003	0.021	0.0367
Brugia malayi	Cell death protein 3 precursor	0.0017	0.0024	0.0038
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0017	0.0024	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0741	0.0741
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0257	0.357	1
Schistosoma mansoni	ferritin	0.0018	0.003	0.0047
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0063	0.0094
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0037	0.0309	0.0483
Schistosoma mansoni	caspase-7 (C14 family)	0.0017	0.0024	0.0038
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0239	0.331	0.331
Echinococcus multilocularis	geminin	0.0171	0.2294	0.4
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0107	0.1348	1
Echinococcus granulosus	BC026374 protein S09 family	0.0037	0.0309	0.054
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0037	0.0309	0.0483
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.0136	0.1786	0.497
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0348	0.2416
Loa Loa (eye worm)	hypothetical protein	0.0134	0.176	0.176
Loa Loa (eye worm)	Smad1	0.0017	0.0014	0.0014
Onchocerca volvulus		0.0021	0.0072	0.0134
Schistosoma mansoni	inositol monophosphatase	0.0039	0.035	0.0546
Schistosoma mansoni	hypothetical protein	0.0403	0.5734	0.8951
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0257	0.357	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0348	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0203	0.0203
Mycobacterium tuberculosis	Probable oxidoreductase	0.0107	0.1348	0.3725
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0014	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0309	0.0309
Schistosoma mansoni	cellular tumor antigen P53	0.0054	0.0572	0.0893
Brugia malayi	MH2 domain containing protein	0.0244	0.3388	0.529
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.035	1
Brugia malayi	Carboxylesterase family protein	0.0037	0.0309	0.0483
Echinococcus granulosus	dna polymerase kappa	0.002	0.0063	0.011
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.0136	0.1786	0.2789
Schistosoma mansoni	hypothetical protein	0.0096	0.1194	0.1864
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0505	0.0789
Echinococcus multilocularis	serotonin receptor	0.016	0.2139	0.3731
Echinococcus granulosus	caspase 8	0.0017	0.0024	0.0043
Brugia malayi	Guanylate kinase family protein	0.0052	0.0545	0.0851
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0348	0.0608
Toxoplasma gondii	thioredoxin reductase	0.0042	0.0391	0.1034
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0063	0.0109
Echinococcus multilocularis	integrin alpha ps	0.0201	0.2743	0.4785
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0037	0.0309	0.0483
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0014	0.0025
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.0289	0.0732
Plasmodium falciparum	thioredoxin reductase	0.0042	0.0391	0.1034
Echinococcus granulosus	para nitrobenzyl esterase	0.0037	0.0309	0.054
Schistosoma mansoni	BC026374 protein (S09 family)	0.0037	0.0309	0.0483
Plasmodium vivax	thioredoxin reductase, putative	0.0042	0.0391	0.1034
Loa Loa (eye worm)	carboxylesterase	0.0037	0.0309	0.0309
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0063	0.0099
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0257	0.357	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0348	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0348	0.0348
Schistosoma mansoni	cell polarity protein	0.0018	0.0032	0.0051
Schistosoma mansoni	ferritin light chain	0.0018	0.003	0.0047
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0348	0.0544
Mycobacterium tuberculosis	Probable reductase	0.0096	0.119	0.3276
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0257	0.357	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0348	0.0914
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.035	0.0918
Echinococcus granulosus	acetylcholinesterase	0.0216	0.2974	0.5187
Mycobacterium ulcerans	carboxylesterase, LipT	0.0037	0.0309	0.8732
Schistosoma mansoni	ferritin	0.0018	0.003	0.0047
Treponema pallidum	5'-nucleotidase (ushA)	0.0136	0.1786	0.4962
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0014	0.0025
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0187	0.0291
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0505	0.0789
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0063	0.0063
Treponema pallidum	ATP-dependent RNA helicase	0.0257	0.357	1
Onchocerca volvulus		0.0037	0.0309	0.0804
Brugia malayi	glutathione reductase	0.0042	0.0391	0.0611
Schistosoma mansoni	acetylcholinesterase	0.0037	0.0309	0.0483
Loa Loa (eye worm)	transcription factor SMAD2	0.0244	0.3388	0.3388
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0014	0.0022
Brugia malayi	Muscleblind-like protein	0.0164	0.2197	0.343
Echinococcus granulosus	disks large 3	0.0048	0.0473	0.0825
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0309	0.0309
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0203	0.0316
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0096	0.119	0.3276
Echinococcus multilocularis	carboxylesterase 5A	0.0216	0.2974	0.5187
Schistosoma mansoni	ferritin light chain	0.0018	0.003	0.0047
Echinococcus multilocularis	smad	0.0017	0.0014	0.0025
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.035	0.0918
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0203	0.0203
Schistosoma mansoni	DNA polymerase eta	0.002	0.0063	0.0099
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0348	0.0914
Echinococcus multilocularis	dnaJ subfamily B	0.0403	0.5734	1
Plasmodium vivax	RNA helicase-1, putative	0.0257	0.357	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0348	0.9949
Brugia malayi	follicle stimulating hormone receptor	0.0239	0.331	0.5168
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0043	0.0399	0.0697
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0339	0.4789	0.7476
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0505	0.0882
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.0741	0.1157
Echinococcus granulosus	neuroligin	0.0037	0.0309	0.054
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0208	0.2844	0.4439
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0742	0.0742
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0505	0.0882
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0348	0.9949
Schistosoma mansoni	apoferritin-2	0.0018	0.003	0.0047
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0348	0.09
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0014	0.0014
Trypanosoma brucei	unspecified product	0.002	0.0063	0.0109
Schistosoma mansoni	integrin alpha-ps	0.0201	0.2743	0.4283
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.035	0.0918
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0741	0.1292
Echinococcus granulosus	caspase	0.0017	0.0024	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0309	0.0309
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0741	0.0741
Echinococcus granulosus	lamin	0.0029	0.0203	0.0353
Echinococcus granulosus	integrin alpha ps	0.0096	0.1194	0.2083
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.035	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0164	0.2197	0.2197
Leishmania major	DNA polymerase eta, putative	0.002	0.0063	0.0109
Onchocerca volvulus	Huntingtin homolog	0.0134	0.176	0.4895
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.0063	0.0109
Schistosoma mansoni	ferritin	0.0018	0.003	0.0047
Schistosoma mansoni	lamin	0.0029	0.0203	0.0316
Echinococcus granulosus	GPCR family 2	0.0066	0.0741	0.1292
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0017	0.0024	0.0038
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.0063	0.0109
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0742	0.1293
Loa Loa (eye worm)	carboxylesterase	0.0216	0.2974	0.2974
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0348	0.0914
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.025	0.3478	0.974
Brugia malayi	beta-lactamase family protein	0.0039	0.0348	0.0544
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0063	0.104
Trichomonas vaginalis	ferritin, putative	0.0018	0.003	0.0015
Onchocerca volvulus		0.0028	0.0187	0.0457
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0742	0.1158
Loa Loa (eye worm)	lethal(1)discs large-1 tumor suppressor	0.0045	0.0434	0.0434
Onchocerca volvulus		0.0039	0.0348	0.0914
Loa Loa (eye worm)	MH2 domain-containing protein	0.0244	0.3388	0.3388
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0348	0.0608
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0063	0.0109
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0037	0.0309	0.079
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0348	0.0348
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0348	0.0914
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0561	0.1514
Loa Loa (eye worm)	acetylcholinesterase 1	0.0216	0.2974	0.2974
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0001	0.0001
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0014	0.0025
Echinococcus granulosus	geminin	0.0171	0.2294	0.4
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0063	0.011
Loa Loa (eye worm)	hypothetical protein	0.016	0.2139	0.2139
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0187	0.0187
Leishmania major	eukaryotic initiation factor 4a, putative	0.0257	0.357	1
Echinococcus granulosus	expressed protein	0.0018	0.003	0.0052
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.035	0.061
Echinococcus granulosus	Smad4	0.0017	0.0014	0.0025
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0014	0.0022
Echinococcus multilocularis	expressed protein	0.0018	0.003	0.0052
Brugia malayi	hypothetical protein	0.0134	0.176	0.2748
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0348	0.0914
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.035	1
Loa Loa (eye worm)	hypothetical protein	0.0208	0.2844	0.2844
Brugia malayi	Integrin alpha pat-2 precursor	0.0448	0.6405	1
Brugia malayi	eukaryotic initiation factor 4A	0.0257	0.357	0.5573
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0348	0.0914
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0742	0.0742
Echinococcus multilocularis	integrin alpha ps	0.0096	0.1194	0.2083
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0257	0.357	1
Brugia malayi	intermediate filament protein	0.0029	0.0203	0.0316
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0742	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0195	0.0195
Echinococcus granulosus	intermediate filament protein	0.0029	0.0203	0.0353
Echinococcus multilocularis	muscleblind protein	0.0164	0.2197	0.3832
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.0063	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0247	0.343	0.343
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0257	0.357	1
Schistosoma mansoni	caspase-3 (C14 family)	0.0017	0.0024	0.0038
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0063	0.104
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0348	0.09
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0024	0.0024
Schistosoma mansoni	cpg binding protein	0.0028	0.0187	0.0291
Toxoplasma gondii	ABC1 family protein	0.0039	0.0348	0.0914
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0014	0.0014
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0505	0.0789
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0001	0.0001
Onchocerca volvulus		0.0037	0.0309	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0309	0.0309
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0348	0.09
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0063	0.011
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0348	0.9949
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0505	0.0505
Echinococcus multilocularis	disks large 3	0.0048	0.0473	0.0825
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0107	0.1348	0.3725
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0063	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0352	0.4979	0.4979
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0572	0.0572
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.0289	0.1965
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0348	0.0348
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0203	0.0203
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.035	0.0818
Brugia malayi	Peripheral plasma membrane protein CASK	0.0021	0.0072	0.0112
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0348	0.2416
Brugia malayi	MH2 domain containing protein	0.0017	0.0014	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0309	0.0309
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0348	0.0914
Schistosoma mansoni	hypothetical protein	0.0171	0.2294	0.3581
Echinococcus multilocularis	acetylcholinesterase	0.0216	0.2974	0.5187
Echinococcus multilocularis	ferritin	0.0018	0.003	0.0052
Schistosoma mansoni	ferritin	0.0018	0.003	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1317	0.1317
Echinococcus multilocularis	serotonin receptor	0.016	0.2139	0.3731
Echinococcus granulosus	integrin alpha 3	0.0343	0.4856	0.8469
Brugia malayi	Carboxylesterase family protein	0.0216	0.2974	0.4643
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0037	0.0309	0.054
Onchocerca volvulus		0.0037	0.0309	0.0804
Onchocerca volvulus		0.0029	0.0203	0.0503
Loa Loa (eye worm)	hypothetical protein	0.016	0.2139	0.2139
Brugia malayi	TAR-binding protein	0.0066	0.0742	0.1158
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0208	0.2844	0.2844
Onchocerca volvulus		0.0039	0.0348	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2974	0.2974
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0063	0.0109
Brugia malayi	beta-lactamase family protein	0.0039	0.0348	0.0544
Mycobacterium tuberculosis	Probable dehydrogenase	0.0096	0.119	0.3276
Toxoplasma gondii	5'-nucleotidase, C-terminal domain-containing protein	0.0056	0.0599	0.162
Schistosoma mansoni	inositol monophosphatase	0.0039	0.035	0.0546
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0096	0.119	0.8796
Echinococcus granulosus	smad	0.0017	0.0014	0.0025
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0741	0.1292
Schistosoma mansoni	23-cyclic-nucleotide 2-phosphodiesterase	0.0136	0.1781	0.278
Schistosoma mansoni	apoferritin-2	0.0018	0.003	0.0047
Trichomonas vaginalis	spcc417.12 protein, putative	0.0037	0.0309	0.0804
Brugia malayi	hypothetical protein	0.0037	0.0309	0.0483
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0742	0.1158

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 1.1 mg kg-1	In vivo effective dose required to antagonize the apomorphine induced climbing response in mice administered intraperitoneally.	ChEMBL.	8676355
ED50 (functional)	= 21.5 mg kg-1	In vivo effective dose required to antagonize the apomorphine induced climbing response in mice administered perorally	ChEMBL.	8676355
IC50 (binding)	= 2.1 nM	In vitro inhibitory activity against [3H]-ketanserin binding to 5-hydroxytryptamine 2 receptor	ChEMBL.	8676355
IC50 (binding)	= 5.2 nM	In vitro inhibitory activity against [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor	ChEMBL.	8676355
IC50 (binding)	= 26 nM	In vitro inhibitory activity against [3H]-raclopride binding to dopamine receptor D2	ChEMBL.	8676355

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: CHEMBL542310

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1180018