TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.879 | Formula: C19H24ClN5O2
H donors: 0 H acceptors: 3 LogP: 2.23 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cn1c(=O)n(C)c2c(c1=O)n(CCCN1CCc3c(C1)cccc3)cn2.Cl
InChi: 1S/C19H23N5O2.ClH/c1-21-17-16(18(25)22(2)19(21)26)24(13-20-17)10-5-9-23-11-8-14-6-3-4-7-15(14)12-23;/h3-4,6-7,13H,5,8-12H2,1-2H3;1H
InChiKey: NTIGOHIOIBVJJX-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	5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 2a (5-HT2a) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	biogenic amine (5HT) receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Get druggable targets OG5_145685	All targets in OG5_145685
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin 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 mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Echinococcus granulosus	tm gpcr rhodopsin	Get druggable targets OG5_145685	All targets in OG5_145685

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Serotonin 2a (5-HT2a) receptor	471 aa	435 aa	23.0 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Serotonin 2a (5-HT2a) receptor	471 aa	405 aa	25.4 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0068	0.0498	0.1167
Schistosoma mansoni	hypothetical protein	0.0044	0.0252	0.0558
Echinococcus multilocularis	replication factor c subunit 1	0.002	0.0014	0.0014
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0106	0.0877	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0269	0.063
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0371	0.0871
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0201	0.157
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0497	0.1099
Brugia malayi	topoisomerase	0.002	0.0014	0.0033
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.0014	0.0033
Loa Loa (eye worm)	cathepsin B	0.0146	0.1281	0.3004
Giardia lamblia	Cathepsin B precursor	0.0146	0.1281	1
Schistosoma mansoni	hypothetical protein	0.003	0.0112	0.0249
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0443	0.4264	0.943
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0201	0.0874
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0201	0.0874
Loa Loa (eye worm)	RNA binding protein	0.0068	0.0497	0.1165
Echinococcus granulosus	cathepsin b	0.0443	0.4264	0.4264
Brugia malayi	Latrophilin receptor protein 2	0.003	0.0112	0.0264
Echinococcus multilocularis	serotonin receptor	0.0161	0.1433	0.1433
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0014	0.0111
Schistosoma mansoni	ap endonuclease	0.002	0.0015	0.0033
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.003	0.0112	0.0112
Echinococcus granulosus	biogenic amine 5HT receptor	0.0161	0.1433	0.1433
Brugia malayi	beta-lactamase family protein	0.0039	0.0201	0.0472
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0201	0.157
Loa Loa (eye worm)	hypothetical protein	0.0443	0.4264	1
Schistosoma mansoni	patched 1	0.0046	0.0269	0.0594
Brugia malayi	beta-lactamase	0.0039	0.0201	0.0472
Brugia malayi	Niemann-Pick C1 protein precursor	0.0106	0.0877	0.2056
Echinococcus multilocularis	GPCR, family 2	0.003	0.0112	0.0112
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0146	0.1281	0.3004
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0443	0.4264	0.943
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0201	0.0445
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0201	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0201	0.0201
Entamoeba histolytica	hypothetical protein	0.0068	0.0498	0.5677
Loa Loa (eye worm)	hypothetical protein	0.002	0.0014	0.0033
Onchocerca volvulus		0.0039	0.0201	1
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.0497	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0201	0.0472
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.0014	0.0033
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0201	1
Brugia malayi	TAR-binding protein	0.0068	0.0497	0.1165
Echinococcus granulosus	replication factor c subunit 1	0.002	0.0014	0.0014
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.0269	0.0269
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0443	0.4264	1
Giardia lamblia	Replication factor C, subunit 1	0.002	0.0014	0.0111
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0015	0.0118
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0015	0.0045
Schistosoma mansoni	ap endonuclease	0.002	0.0015	0.0033
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0161	0.1433	0.3169
Brugia malayi	latrophilin 2 splice variant baaae	0.0065	0.0461	0.1082
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0.0014	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0877	0.2056
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0015	0.0015
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0015	0.0749
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.0112	0.0264
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0015	0.0118
Mycobacterium ulcerans	lipase LipD	0.0039	0.0201	1
Brugia malayi	DKFZp564C0469 protein	0.002	0.0014	0.0033
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0095	0.0762	0.1788
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0068	0.0498	0.0498
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0201	0.0472
Brugia malayi	cathepsin B-like cysteine proteinase	0.0443	0.4264	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0015	0.0172
Schistosoma mansoni	hypothetical protein	0.003	0.0112	0.0249
Schistosoma mansoni	hypothetical protein	0.0157	0.1389	0.3072
Schistosoma mansoni	hypothetical protein	0.0044	0.0252	0.0558
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0014	0.0111
Echinococcus multilocularis	Niemann Pick C1 protein	0.0106	0.0877	0.0877
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0068	0.0498	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0461	0.1082
Loa Loa (eye worm)	hypothetical protein	0.002	0.0014	0.0033
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.002	0.0014	0.0162
Echinococcus granulosus	Niemann Pick C1 protein	0.0106	0.0877	0.0877
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0497	0.1099
Brugia malayi	beta-lactamase family protein	0.0039	0.0201	0.0472
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.0497	0.1165
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0201	0.0472
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0201	0.0874
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.002	0.0014	0.0111
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0015	0.0118
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0977	0.2292
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0201	0.0201
Echinococcus granulosus	X box binding protein 1	0.028	0.2624	0.2624
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0015	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0497	0.1099
Schistosoma mansoni	hypothetical protein	0.003	0.0112	0.0249
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0201	0.0472
Schistosoma mansoni	topbp1	0.002	0.0014	0.0031
Trypanosoma cruzi	FHA domain containing protein, putative	0.002	0.0014	0.0033
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0443	0.4264	0.943
Entamoeba histolytica	hypothetical protein	0.002	0.0014	0.0162
Echinococcus multilocularis	cathepsin b	0.0443	0.4264	0.4264
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0201	0.0445
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0201	0.0472
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0469	0.4521	1
Echinococcus granulosus	GPCR family 2	0.003	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.003	0.0112	0.0264
Schistosoma mansoni	hypothetical protein	0.0068	0.0498	0.1101
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0201	0.0874
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0015	1
Echinococcus multilocularis	cathepsin b	0.0443	0.4264	0.4264
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0201	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0146	0.1281	1
Echinococcus multilocularis	serotonin receptor	0.0161	0.1433	0.1433
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0201	0.0874
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0497	0.1099
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.1281	0.2833
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0201	0.0472
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0095	0.0762	0.1788
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0014	0.0111
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.002	0.0014	0.0707
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0201	0.0874
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0201	0.157
Chlamydia trachomatis	DNA ligase	0.002	0.0014	0.5
Toxoplasma gondii	ATPase, AAA family protein	0.002	0.0014	0.0000023743
Echinococcus multilocularis	protein patched	0.0046	0.0269	0.0269
Echinococcus granulosus	cathepsin b	0.0443	0.4264	0.4264
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0146	0.1281	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0762	0.1788
Brugia malayi	RNA binding protein	0.0068	0.0497	0.1165
Leishmania major	hypothetical protein, conserved	0.0039	0.0201	0.157
Echinococcus granulosus	Niemann Pick C1 protein	0.0152	0.1334	0.1334
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.0497	0.1165
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.0014	0.0111
Schistosoma mansoni	chromosome transmission fidelity factor	0.002	0.0014	0.0031
Echinococcus multilocularis	nibrin	0.002	0.0014	0.0014
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0015	0.0065
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0015	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.002	0.0014	0.0033
Echinococcus multilocularis	X box binding protein 1	0.028	0.2624	0.2624
Schistosoma mansoni	topbp1	0.002	0.0014	0.0031
Echinococcus granulosus	expressed conserved protein	0.01	0.0812	0.0812
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.002	0.0014	0.0033
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0201	1
Toxoplasma gondii	cathepsin B	0.0146	0.1281	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0015	0.0015
Echinococcus multilocularis	expressed conserved protein	0.01	0.0812	0.0812
Giardia lamblia	Cathepsin B precursor	0.0146	0.1281	1
Trichomonas vaginalis	replication factor C large subunit, putative	0.002	0.0014	0.0111
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.0269	0.0269
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0201	0.157
Entamoeba histolytica	hypothetical protein	0.0068	0.0498	0.5677
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0201	0.0874
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0015	0.0035
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0015	0.0035
Schistosoma mansoni	transcription factor LCR-F1	0.0068	0.0498	0.1101
Schistosoma mansoni	hypothetical protein	0.0044	0.0252	0.0558
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.0497	0.1165
Trichomonas vaginalis	esterase, putative	0.0039	0.0201	0.157
Brugia malayi	MH2 domain containing protein	0.0116	0.0977	0.2292
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.003	0.0112	0.0112
Entamoeba histolytica	hypothetical protein	0.0068	0.0498	0.5677
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0201	0.157
Echinococcus multilocularis	Niemann Pick C1 protein	0.0152	0.1334	0.1334
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0015	0.0035
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0201	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0201	0.0472
Schistosoma mansoni	hypothetical protein	0.0157	0.1389	0.3072
Toxoplasma gondii	exonuclease III APE	0.002	0.0015	0.0007
Brugia malayi	Pax transcription activation domain interacting protein	0.002	0.0014	0.0033
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0014	0.0111
Echinococcus multilocularis	geminin	0.0157	0.1389	0.1389
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0201	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0497	0.1099
Loa Loa (eye worm)	hypothetical protein	0.002	0.0014	0.0033
Echinococcus granulosus	geminin	0.0157	0.1389	0.1389
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.003	0.0112	0.0112
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.002	0.0014	0.0033
Loa Loa (eye worm)	hypothetical protein	0.002	0.0014	0.0033
Giardia lamblia	Cathepsin B precursor	0.0146	0.1281	1
Onchocerca volvulus		0.0039	0.0201	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0095	0.0762	0.1788
Schistosoma mansoni	hypothetical protein	0.0065	0.0461	0.1021
Brugia malayi	CHE-14 protein	0.0046	0.0269	0.063
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.003	0.0112	0.0112
Echinococcus granulosus	nibrin	0.002	0.0014	0.0014
Schistosoma mansoni	hypothetical protein	0.003	0.0112	0.0249
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0269	0.2098
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0201	1
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0201	1
Schistosoma mansoni	hypothetical protein	0.028	0.2624	0.5804
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0108	0.0893	0.1975
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.0269	0.063
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0201	0.0874
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0014	0.0111
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.002	0.0014	0.0111
Echinococcus granulosus	tar DNA binding protein	0.0068	0.0497	0.0497
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0014	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0201	0.0472
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0146	0.1281	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0201	0.0874
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0201	0.0874
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1433	0.3361
Schistosoma mansoni	hypothetical protein	0.0044	0.0252	0.0558
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0977	0.2292
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.0112	0.0264
Loa Loa (eye worm)	hypothetical protein	0.002	0.0014	0.0033
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0201	0.157
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0248	0.23	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0469	0.4521	0.4521
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0201	0.0472
Echinococcus granulosus	biogenic amine 5HT receptor	0.0469	0.4521	0.4521
Toxoplasma gondii	ABC1 family protein	0.0039	0.0201	0.1475
Echinococcus multilocularis	protein dispatched 1	0.0052	0.0333	0.0333
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1014	1	1
Schistosoma mansoni	DNA ligase IV	0.002	0.0014	0.0031
Onchocerca volvulus		0.0039	0.0201	1
Entamoeba histolytica	hypothetical protein	0.0068	0.0498	0.5677
Brugia malayi	hypothetical protein	0.002	0.0014	0.0033
Brugia malayi	hypothetical protein	0.002	0.0014	0.0033
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0873	0.8584	0.8584
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1433	0.3361
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0443	0.4264	0.943
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0015	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0201	0.0472
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0015	0.0035
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0015	0.0118

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 433 nM	Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus	ChEMBL.	25435254
Ki (binding)	= 2705 nM	Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum	ChEMBL.	25435254
Ki (binding)	= 3616 nM	Displacement of [3H]]-5-CT from human cloned 5-HT7R expressed in HEK293 cells	ChEMBL.	25435254
Ki (binding)	= 10490 nM	Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex	ChEMBL.	25435254
Ki (binding)	= 12250 nM	Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells	ChEMBL.	25435254

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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL3361002

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 958117