TDR Targets

Basic information

Technical information

TDR Targets ID: 64547
Name: (3-chloro-4-fluorophenyl)-[4-[[[6-(ethylamino )pyridin-2-yl]methylamino]methyl]-4-fluoropip eridin-1-yl]methanone
MW: 422.899 | Formula: C21H25ClF2N4O
H donors: 2 H acceptors: 2 LogP: 3.54 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCNc1cccc(n1)CNCC1(F)CCN(CC1)C(=O)c1ccc(c(c1)Cl)F
InChi: 1S/C21H25ClF2N4O/c1-2-26-19-5-3-4-16(27-19)13-25-14-21(24)8-10-28(11-9-21)20(29)15-6-7-18(23)17(22)12-15/h3-7,12,25H,2,8-11,13-14H2,1H3,(H,26,27)
InChiKey: DGXPRFFOVPWQOE-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

(3-chloro-4-fluoro-phenyl)-[4-[[[6-(ethylamino)-2-pyridyl]methylamino]methyl]-4-fluoro-1-piperidyl]methanone
(3-chloro-4-fluorophenyl)-[4-[[[6-(ethylamino)-2-pyridyl]methylamino]methyl]-4-fluoro-1-piperidinyl]methanone
(3-chloro-4-fluoro-phenyl)-[4-[[[6-(ethylamino)pyridin-2-yl]methylamino]methyl]-4-fluoro-piperidin-1-yl]methanone
(3-chloro-4-fluoro-phenyl)-[4-[[[6-(ethylamino)-2-pyridyl]methylamino]methyl]-4-fluoro-piperidino]methanone
(3-chloro-4-fluorophenyl)-[4-[[(6-ethylaminopyridin-2-yl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
(3-chloro-4-fluoro-phenyl)-[4-[[(6-ethylamino-2-pyridyl)methylamino]methyl]-4-fluoro-1-piperidyl]methanone
(3-chloro-4-fluorophenyl)-[4-[[(6-ethylamino-2-pyridyl)methylamino]methyl]-4-fluoro-1-piperidinyl]methanone
(3-chloro-4-fluoro-phenyl)-[4-[[(6-ethylaminopyridin-2-yl)methylamino]methyl]-4-fluoro-piperidin-1-yl]methanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	Octopamine receptor, putative	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 granulosus	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
Schistosoma japonicum	expressed protein	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
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 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
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	392 aa	20.7 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0173	0.1207	0.1207
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0049	0.0228	0.0237
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0092	0.057	0.0796
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0354	0.0354
Echinococcus multilocularis	transcription factor Dp 1	0.0539	0.408	0.4242
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0098	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0205	0.0286
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0044	0.0187	0.0194
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0092	0.057	0.057
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0092	0.057	0.0796
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0092	0.057	0.0593
Plasmodium vivax	flap endonuclease 1, putative	0.0027	0.0054	1
Brugia malayi	ecdysone receptor	0.0044	0.0187	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0092	0.057	0.0796
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0932	0.7161	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0044	0.0187	0.0187
Schistosoma mansoni	thyroid hormone receptor	0.0092	0.057	0.057
Echinococcus granulosus	geminin	0.0173	0.1207	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0092	0.057	0.0593
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0047	0.0066
Echinococcus granulosus	flap endonuclease 1	0.0027	0.0054	0.0054
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0092	0.057	0.057
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0049	0.0228	0.0228
Loa Loa (eye worm)	flap endonuclease-1	0.0027	0.0054	0.0076
Echinococcus granulosus	ecdysone induced protein 78C	0.0092	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0092	0.057	0.057
Schistosoma mansoni	nuclear receptor	0.0044	0.0187	0.0187
Brugia malayi	nuclear hormone receptor family member odr-7	0.0044	0.0187	0.0261
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0027	0.0054	0.1335
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0354	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Loa Loa (eye worm)	hypothetical protein	0.03	0.22	0.3072
Leishmania major	DNA polymerase eta, putative	0.0046	0.0205	0.0286
Loa Loa (eye worm)	hypothetical protein	0.03	0.22	0.3072
Plasmodium falciparum	flap endonuclease 1	0.0027	0.0054	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0044	0.0187	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0092	0.057	0.0796
Brugia malayi	photoreceptor-specific nuclear receptor	0.0092	0.057	0.0796
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0092	0.057	0.0796
Schistosoma mansoni	hypothetical protein	0.0173	0.1207	0.1207
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0932	0.7161	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.1244	0.9617	1
Brugia malayi	hypothetical protein	0.0026	0.0047	0.0066
Onchocerca volvulus	Protein ultraspiracle homolog	0.0092	0.057	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.0027	0.0054	1
Entamoeba histolytica	Flap nuclease, putative	0.0027	0.0054	0.0076
Brugia malayi	steroid hormone receptor	0.0092	0.057	0.0796
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0092	0.057	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0044	0.0187	0.0187
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0092	0.057	0.057
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0213	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Brugia malayi	ecdysteroid receptor	0.0092	0.057	0.0796
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0354	0.0494
Echinococcus multilocularis	FTZ F1 alpha	0.0092	0.057	0.0593
Schistosoma mansoni	flap endonuclease-1	0.0024	0.0034	0.0034
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.0187	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0092	0.057	0.0796
Brugia malayi	TAR-binding protein	0.0065	0.0354	0.0494
Brugia malayi	hypothetical protein	0.0037	0.0134	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Brugia malayi	orphan nuclear receptor NR2E1	0.0044	0.0187	0.0261
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0213	0.0213
Brugia malayi	tailless protein	0.0044	0.0187	0.0261
Giardia lamblia	Flap structure-specific endonuclease	0.0027	0.0054	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0354	0.0494
Trypanosoma brucei	DNA polymerase eta, putative	0.0046	0.0205	0.0286
Echinococcus multilocularis	nuclear receptor nhr 48	0.0044	0.0187	0.0194
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0092	0.057	0.0796
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0047	0.0066
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0228	0.0318
Echinococcus granulosus	nuclear receptor nhr 48	0.0044	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0092	0.057	0.0796
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0044	0.0187	0.0261
Brugia malayi	nuclear receptor NHR-88	0.0092	0.057	0.0796
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0932	0.7161	1
Brugia malayi	nuclear receptor NHR-88	0.0044	0.0187	0.0261
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0213	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0092	0.057	0.057
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0027	0.0054	0.0076
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0092	0.057	0.0796
Schistosoma mansoni	nuclear receptor nhr-48	0.0044	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0044	0.0187	0.0187
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0354	0.0354
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0092	0.057	0.0796
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0092	0.057	0.0796
Mycobacterium ulcerans	DNA polymerase IV	0.002	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0092	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0354	0.0354
Onchocerca volvulus		0.0092	0.057	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0092	0.057	0.0593
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0027	0.0054	0.0076
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0932	0.7161	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0932	0.7161	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0092	0.057	0.0593
Brugia malayi	Nuclear hormone receptor-like 1	0.0092	0.057	0.0796
Brugia malayi	hypothetical protein	0.0044	0.0187	0.0261
Schistosoma mansoni	RAR-like nuclear receptor	0.0092	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Brugia malayi	nuclear receptor RXR	0.0044	0.0187	0.0261
Echinococcus granulosus	biogenic amine 5HT receptor	0.03	0.22	0.22
Brugia malayi	conserved hypotetical protein	0.0044	0.0187	0.0261
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.0187	0.0187
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0354	0.0354
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0354	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.0187	0.0187
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0092	0.057	0.0796
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0044	0.0187	0.0194
Schistosoma mansoni	zinc finger protein	0.0044	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.0187	0.0187
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0213	0.0213
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0932	0.7161	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0092	0.057	0.057
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0932	0.7161	0.7446
Schistosoma mansoni	biogenic amine (5HT) receptor	0.03	0.22	0.22
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0044	0.0187	0.0261
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0092	0.057	0.057
Entamoeba histolytica	hypothetical protein	0.0037	0.0134	0.0187
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0213	0.0297
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0092	0.057	0.057
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0932	0.7161	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0047	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0228	0.0318
Echinococcus multilocularis	flap endonuclease 1	0.0027	0.0054	0.0056
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0092	0.057	0.0796
Leishmania major	hypothetical protein, conserved	0.0026	0.0047	0.0066
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0213	0.0213
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0092	0.057	0.0593
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0092	0.057	0.0796
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0092	0.057	0.0796
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0092	0.057	0.0796
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0092	0.057	0.057
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0213	0.0297
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.0187	0.0194
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0049	0.0228	0.0228
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0213	0.0213
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0354	0.0354
Brugia malayi	nuclear receptor RXR	0.0049	0.0228	0.0318
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0092	0.057	0.0796
Brugia malayi	nuclear hormone receptor	0.0044	0.0187	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Echinococcus granulosus	thyroid hormone receptor alpha	0.0044	0.0187	0.0187
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0134	0.0134
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0134	0.0139
Echinococcus granulosus	FTZ F1 alpha	0.0092	0.057	0.057
Loa Loa (eye worm)	nuclear hormone receptor	0.0044	0.0187	0.0261
Mycobacterium ulcerans	DNA polymerase IV	0.002	0	0.5
Echinococcus multilocularis	geminin	0.0173	0.1207	0.1255
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0092	0.057	0.057
Entamoeba histolytica	hypothetical protein	0.0037	0.0134	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Brugia malayi	RNA binding protein	0.0065	0.0354	0.0494
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0134	0.0134
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0092	0.057	0.0796
Schistosoma mansoni	coup transcription factor	0.0092	0.057	0.057
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0932	0.7161	0.7161
Loa Loa (eye worm)	DR-78	0.0044	0.0187	0.0261
Echinococcus granulosus	transcription factor Dp 1	0.0539	0.408	0.408
Schistosoma mansoni	nuclear receptor	0.0044	0.0187	0.0187
Brugia malayi	Steroid receptor seven-up type 2	0.0092	0.057	0.0796
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0932	0.7161	0.7161
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0092	0.057	0.0593
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.0187	0.0194
Schistosoma mansoni	hypothetical protein	0.0037	0.0134	0.0134
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0047	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0092	0.057	0.0593
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0098	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0092	0.057	0.057
Brugia malayi	hypothetical protein	0.0049	0.0228	0.0318
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.0187	0.0187
Echinococcus granulosus	dna polymerase eta	0.0046	0.0205	0.0205
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0049	0.0228	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0228	0.0318
Schistosoma mansoni	retinoic acid receptor RXR	0.1293	1	1
Leishmania major	DNA polymerase eta, putative	0.0032	0.0098	0.0137
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0049	0.0228	0.0318
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0213	0.0221
Echinococcus multilocularis	serotonin receptor	0.03	0.22	0.2287
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0092	0.057	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0049	0.0228	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0228	0.0318
Onchocerca volvulus	Bile acid receptor homolog	0.0092	0.057	1
Schistosoma mansoni	DNA polymerase eta	0.0046	0.0205	0.0205
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0044	0.0187	0.0187
Brugia malayi	nuclear receptor NHR-67	0.0044	0.0187	0.0261
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0092	0.057	0.057
Entamoeba histolytica	hypothetical protein	0.0037	0.0134	0.0187
Echinococcus multilocularis	serotonin receptor	0.03	0.22	0.2287
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0027	0.0054	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0228	0.0318
Entamoeba histolytica	hypothetical protein	0.0037	0.0134	0.0187
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.0187	0.0261
Brugia malayi	Nuclear hormone receptor-like 1	0.0049	0.0228	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Brugia malayi	ImpB/MucB/SamB family protein	0.0046	0.0205	0.0286
Trypanosoma cruzi	DNA polymerase eta, putative	0.0046	0.0205	0.0286
Echinococcus multilocularis	dna polymerase eta	0.0046	0.0205	0.0213
Brugia malayi	Flap endonuclease-1	0.0027	0.0054	0.0076
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0092	0.057	0.0593
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0092	0.057	0.0796
Loa Loa (eye worm)	steroid hormone receptor	0.0092	0.057	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0092	0.057	0.0796
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0	0.5
Brugia malayi	nuclear hormone receptor	0.0092	0.057	0.0796
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0354	0.0368
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0044	0.0187	0.0261
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0092	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0187	0.0261
Brugia malayi	hypothetical protein	0.0049	0.0228	0.0318
Schistosoma mansoni	nuclear hormone receptor	0.0092	0.057	0.057
Brugia malayi	hypothetical protein	0.0044	0.0187	0.0261

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= -7.88	In vitro effective concentration required to inhibit forskolin-stimulated cAMP levels in HA7 cells expressing human 5-HT1A receptor	ChEMBL.	10229633
ED50 (functional)	= 0.11 mg kg-1	Effective intraperitoneal dose of the compound was determined in vivo in rat after 15 mins to induce lower lip retraction	ChEMBL.	10229633
ED50 (functional)	= 0.32 mg kg-1	Induction of lower lip retraction in rat 60 min after administration, effective peroral dose determined in vivo	ChEMBL.	10229633
Ki (binding)	= -9.73	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as a radioligand	ChEMBL.	10229633
Log EC50 (functional)	= 7.88	In vitro effective concentration required to inhibit forskolin-stimulated cAMP levels in HA7 cells expressing human 5-HT1A receptor	ChEMBL.	10229633
Log Ki (binding)	= 9.73	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as a radioligand	ChEMBL.	10229633

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: CHEMBL288992
PubChem: 10812183

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 64547