TDR Targets

Basic information

Technical information

TDR Targets ID: 204453
Name: N-[4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indo l-3-yl]propyl]piperazin-1-yl]ethyl]phenyl]ace tamide
MW: 471.597 | Formula: C27H33N7O
H donors: 2 H acceptors: 3 LogP: 2.81 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)CCN1CCN(CC1)CCCc1c[nH]c2c1cc(cc2)n1cnnc1
InChi: 1S/C27H33N7O/c1-21(35)31-24-6-4-22(5-7-24)10-12-33-15-13-32(14-16-33)11-2-3-23-18-28-27-9-8-25(17-26(23)27)34-19-29-30-20-34/h4-9,17-20,28H,2-3,10-16H2,1H3,(H,31,35)
InChiKey: LDTJNZDBCMEMGA-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

N-[4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-1-piperazinyl]ethyl]phenyl]acetamide
N-[4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]phenyl]ethanamide
N-[4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazino]ethyl]phenyl]acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Brugia malayi	Serotonin/octopamine receptor family protein 7	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Get druggable targets OG5_141128	All targets in OG5_141128
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133680	All targets in OG5_133680
Schistosoma japonicum	ko:K04165 Oamb gene product from transcript, putative	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_133680	All targets in OG5_133680
Loa Loa (eye worm)	hypothetical protein	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
Brugia malayi	AT19640p	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	390 aa	335 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0025	0.0031	0.005
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0275	0.4667	1
Schistosoma mansoni	hypothetical protein	0.003	0.0137	0.0218
Echinococcus granulosus	acetylcholinesterase	0.0136	0.2093	0.4874
Brugia malayi	Heterochromatin protein 1	0.0059	0.0667	0.106
Brugia malayi	beta-lactamase family protein	0.0039	0.0294	0.0468
Echinococcus multilocularis	GPCR, family 2	0.003	0.0137	0.0319
Echinococcus multilocularis	chromobox protein 1	0.0059	0.0667	0.1552
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0294	0.0631
Brugia malayi	beta-lactamase family protein	0.0039	0.0294	0.0468
Echinococcus granulosus	chromobox protein 1	0.0059	0.0667	0.1552
Echinococcus multilocularis	geminin	0.0183	0.2963	0.6901
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.079	0.1256
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0294	0.0631
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0294	0.0468
Echinococcus multilocularis	carboxylesterase 5A	0.0136	0.2093	0.4874
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0081	0.1071	0.2495
Brugia malayi	Latrophilin receptor protein 2	0.003	0.0137	0.0218
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0294	0.0631
Treponema pallidum	fructose-bisphosphate aldolase	0.0563	1	0.5
Schistosoma mansoni	hypothetical protein	0.0066	0.079	0.1256
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0275	0.4667	1
Echinococcus granulosus	peregrin	0.0025	0.0031	0.0073
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0054	0.0087
Brugia malayi	beta-lactamase	0.0039	0.0294	0.0468
Loa Loa (eye worm)	carboxylesterase	0.0136	0.2093	0.3327
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0489	0.0778
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0363	0.6289	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0294	0.0294
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0294	0.0686
Trichomonas vaginalis	glucosylceramidase, putative	0.0144	0.223	0.223
Schistosoma mansoni	hypothetical protein	0.003	0.0137	0.0218
Echinococcus multilocularis	peregrin	0.0025	0.0031	0.0073
Brugia malayi	hypothetical protein	0.0117	0.1744	0.2773
Schistosoma mansoni	hypothetical protein	0.0183	0.2963	0.4711
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.003	0.0137	0.0319
Schistosoma mansoni	chromobox protein	0.0059	0.0667	0.106
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0294	1
Onchocerca volvulus		0.0039	0.0294	0.132
Trichomonas vaginalis	glucosylceramidase, putative	0.0219	0.3622	0.3622
Loa Loa (eye worm)	jmjC domain-containing protein	0.003	0.0128	0.0203
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0025	0.0031	0.0073
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0294	0.0631
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0294	0.5
Onchocerca volvulus	Alhambra homolog	0.0025	0.0031	0.0141
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0294	0.0631
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0294	0.0631
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0294	0.0631
Echinococcus granulosus	carboxylesterase 5A	0.0136	0.2093	0.4874
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0363	0.6289	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0151	0.2373	0.2373
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0489	0.1139
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0489	0.1139
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.003	0.0137	0.0319
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0096	0.1353	0.2151
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0294	0.0631
Echinococcus granulosus	jumonji domain containing protein	0.0034	0.021	0.049
Brugia malayi	Carboxylesterase family protein	0.0136	0.2093	0.3327
Onchocerca volvulus		0.0039	0.0294	0.132
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0255	0.4294	0.6827
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0294	0.0631
Echinococcus multilocularis	acetylcholinesterase	0.0136	0.2093	0.4874
Onchocerca volvulus		0.0026	0.0054	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0187	0.0297
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0294	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0363	0.6289	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0144	0.223	0.223
Echinococcus multilocularis	lysine specific demethylase 5A	0.003	0.0128	0.0297
Trichomonas vaginalis	glucosylceramidase, putative	0.0219	0.3622	0.3622
Trichomonas vaginalis	glucosylceramidase, putative	0.0219	0.3622	0.3622
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0294	0.0468
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0489	0.1139
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0096	0.1353	0.2151
Giardia lamblia	Fructose-bisphosphate aldolase	0.0563	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0031	0.005
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0255	0.4294	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0033	0.0187	0.0837
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0489	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0294	0.0468
Echinococcus multilocularis	jumonji domain containing protein	0.0034	0.021	0.049
Toxoplasma gondii	ABC1 family protein	0.0039	0.0294	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0255	0.4294	0.6827
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.003	0.0137	0.0319
Brugia malayi	PHD-finger family protein	0.0025	0.0031	0.005
Leishmania major	hypothetical protein, conserved	0.0039	0.0294	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Schistosoma mansoni	hypothetical protein	0.003	0.0137	0.0218
Trichomonas vaginalis	chromobox protein, putative	0.0059	0.0667	0.0667
Echinococcus granulosus	chromobox protein 1	0.0059	0.0667	0.1552
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0563	1	0.5
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0025	0.0031	0.005
Schistosoma mansoni	hypothetical protein	0.003	0.0137	0.0218
Schistosoma mansoni	jumonji/arid domain-containing protein	0.003	0.0128	0.0203
Trichomonas vaginalis	glucosylceramidase, putative	0.0151	0.2373	0.2373
Loa Loa (eye worm)	heterochromatin protein 1	0.0059	0.0667	0.106
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0031	0.005
Trichomonas vaginalis	glucosylceramidase, putative	0.0219	0.3622	0.3622
Trichomonas vaginalis	chromobox protein, putative	0.0059	0.0667	0.0667
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0294	0.0294
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0255	0.4294	1
Echinococcus granulosus	lysine specific demethylase 5A	0.003	0.0128	0.0297
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0294	0.0468
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0294	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0137	0.0218
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Echinococcus granulosus	geminin	0.0183	0.2963	0.6901
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0187	0.0187
Brugia malayi	Carboxylesterase family protein	0.0136	0.2093	0.3327
Brugia malayi	jmjC domain containing protein	0.0081	0.1071	0.1703
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2093	0.3327
Loa Loa (eye worm)	hypothetical protein	0.0066	0.079	0.1256
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.0137	0.0218
Trichomonas vaginalis	glucosylceramidase, putative	0.0144	0.223	0.223
Echinococcus granulosus	acetylcholinesterase	0.0136	0.2093	0.4874
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0489	0.0778
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0294	0.0294
Trichomonas vaginalis	glucosylceramidase, putative	0.0144	0.223	0.223
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0294	0.0631
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0489	0.1139
Schistosoma mansoni	chromobox protein	0.0059	0.0667	0.106
Schistosoma mansoni	jumonji/arid domain-containing protein	0.003	0.0128	0.0203
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0081	0.1071	0.2495
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0294	0.0468
Trichomonas vaginalis	glucosylceramidase, putative	0.0219	0.3622	0.3622
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0294	0.0468
Trichomonas vaginalis	esterase, putative	0.0039	0.0294	0.0294
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0008	0.0008
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0249	0.4174	0.8943
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0294	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.0136	0.2093	0.3327
Echinococcus granulosus	PHD finger protein rhinoceros	0.0025	0.0031	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1353	0.2151
Loa Loa (eye worm)	hypothetical protein	0.0136	0.2093	0.3327
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0294	0.0631
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0187	0.0187
Trichomonas vaginalis	chromobox protein, putative	0.0036	0.0233	0.0233
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0363	0.6289	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0036	0.0233	0.0233
Brugia malayi	jmjC domain containing protein	0.003	0.0128	0.0203
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0489	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0358	0.0569
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0036	0.0233	0.1045
Onchocerca volvulus	Glucosylceramidase homolog	0.0144	0.223	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0294	0.0468
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0294	0.0468
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0294	0.0631
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0008	0.0008
Trichomonas vaginalis	glucosylceramidase, putative	0.0144	0.223	0.223
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0294	0.0686
Trichomonas vaginalis	glucosylceramidase, putative	0.0144	0.223	0.223
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.003	0.0137	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0294	0.0468
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0275	0.4667	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0294	0.0468
Plasmodium falciparum	phd finger protein, putative	0.0025	0.0031	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0294	0.0294
Loa Loa (eye worm)	jmjC domain-containing protein	0.0051	0.0518	0.0824
Echinococcus multilocularis	chromobox protein 1	0.0059	0.0667	0.1552
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0136	0.2093	0.3327
Brugia malayi	Bromodomain containing protein	0.0025	0.0031	0.005
Loa Loa (eye worm)	hypothetical protein	0.0318	0.5463	0.8687
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0294	0.0468
Brugia malayi	chromobox protein homolog 3	0.0033	0.0187	0.0297
Schistosoma mansoni	hypothetical protein	0.0183	0.2963	0.4711
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.0137	0.0218
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0219	0.3622	0.576
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0219	0.3622	0.576
Schistosoma mansoni	jumonji domain containing protein	0.0064	0.0764	0.1214
Echinococcus granulosus	GPCR family 2	0.003	0.0137	0.0319
Mycobacterium ulcerans	lipase LipD	0.0039	0.0294	0.0631
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0294	0.0631
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0489	0.0778
Trichomonas vaginalis	glucosylceramidase, putative	0.0144	0.223	0.223
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0563	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0136	0.2093	0.4874
Trichomonas vaginalis	glucosylceramidase, putative	0.0219	0.3622	0.3622
Onchocerca volvulus		0.0039	0.0294	0.132
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0096	0.1353	0.2151

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 1.8 nM	Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.	ChEMBL.	10052976
EC50 (functional)	= 1.8 nM	Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.	ChEMBL.	10052976
EC50 (functional)	= 1.9 nM	Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing 5-hydroxytryptamine 1D receptor	ChEMBL.	9357515
EC50 (functional)	= 1.9 nM	Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing 5-hydroxytryptamine 1D receptor	ChEMBL.	9357515
Efficacy (functional)	= 85 %	Maximum stimulation of [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1D receptor relative to 5-HT	ChEMBL.	9357515
Efficacy (functional)	= 85 %	Maximum stimulation of [35S]-GTP-gammaS, binding to 5-hydroxytryptamine 1D receptor relative to 5-HT	ChEMBL.	9357515
IC50 (binding)	= 1.3 nM	Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells	ChEMBL.	10052976
IC50 (binding)	= 1.3 nM	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells	ChEMBL.	9357515
IC50 (binding)	= 1.3 nM	Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells	ChEMBL.	10052976
IC50 (binding)	= 1.3 nM	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cells	ChEMBL.	9357515
IC50 (binding)	= 251 nM	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells	ChEMBL.	9357515
IC50 (binding)	= 251 nM	Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1B receptor expressed in CHO cells	ChEMBL.	9357515
IC50 (binding)	= 260 nM	Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.	ChEMBL.	10052976
IC50 (binding)	= 260 nM	Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B receptor stably expressed in CHO cells.	ChEMBL.	10052976
Relative efficacy (functional)	= 85 %	Relative efficacy in stimulation of [35S]-GTP-gammaS, binding in CHO cells compared to 5-HT	ChEMBL.	10052976
Relative efficacy (functional)	= 85 %	Relative efficacy in stimulation of [35S]-GTP-gammaS, binding in CHO cells compared to 5-HT	ChEMBL.	10052976
Selectivity (binding)	= 190	Relative binding to serotonin 5-HT 1B and 5-HT 1D receptors	ChEMBL.	9357515
Selectivity (binding)	= 200	Selectivity of compound towards human 5-HT1D receptor over human 5-HT1B receptor	ChEMBL.	10052976

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: CHEMBL119785
PubChem: 10838153

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 204453