TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 515.432 | Formula: C26H28Cl2N4O3
H donors: 0 H acceptors: 2 LogP: 3.64 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N1CCCC(C1CN1CCOCC1)c1ccccc1)Cn1c(=O)cnc2c1cc(Cl)c(c2)Cl
InChi: 1S/C26H28Cl2N4O3/c27-20-13-22-23(14-21(20)28)32(25(33)15-29-22)17-26(34)31-8-4-7-19(18-5-2-1-3-6-18)24(31)16-30-9-11-35-12-10-30/h1-3,5-6,13-15,19,24H,4,7-12,16-17H2
InChiKey: KJBXOWKVXHJXGA-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	urotensin 2 receptor	Starlite/ChEMBL	References
Homo sapiens	opioid receptor, kappa 1	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Carboxylesterase family protein	0.0292	0.7356	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0042	0.0376	0.0482
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0	0.5
Schistosoma mansoni	hypothetical protein	0.0068	0.1104	0.1104
Schistosoma mansoni	RAR-like nuclear receptor	0.0042	0.0376	0.0376
Echinococcus granulosus	Niemann Pick C1 protein	0.0149	0.3359	0.4306
Brugia malayi	Niemann-Pick C1 protein precursor	0.0104	0.2108	0.2866
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.0376	0.0376
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0049	0.0573	0.0735
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0042	0.0376	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0376	0.0482
Schistosoma mansoni	hypothetical protein	0.0043	0.0399	0.0399
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0042	0.0376	0.0376
Schistosoma mansoni	hypothetical protein	0.0171	0.3955	0.3955
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0042	0.0376	0.0512
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0078	0.01
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0445	0.057
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.0376	0.0512
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0473	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0573	0.0735
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	0.78	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0078	0.01
Echinococcus multilocularis	geminin	0.0171	0.3955	0.507
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0042	0.0376	0.0482
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0473	0.0473
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.0376	0.0482
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0042	0.0376	0.0376
Echinococcus multilocularis	protein patched	0.0045	0.0445	0.057
Echinococcus granulosus	BC026374 protein S09 family	0.0049	0.0573	0.0735
Schistosoma mansoni	hypothetical protein	0.0308	0.78	0.78
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0376	0.0482
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.0376	0.0482
Brugia malayi	CHE-14 protein	0.0045	0.0445	0.0604
Schistosoma mansoni	hypothetical protein	0.0032	0.0078	0.0078
Echinococcus multilocularis	snurportin 1	0.0308	0.78	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0042	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0573	0.0735
Schistosoma mansoni	thyroid hormone receptor	0.0042	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0197	0.4685	0.6006
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0042	0.0376	0.0482
Echinococcus multilocularis	acetylcholinesterase	0.0292	0.7356	0.9431
Echinococcus granulosus	carboxylesterase 5A	0.0292	0.7356	0.9431
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0473	0.0606
Echinococcus granulosus	expressed conserved protein	0.0098	0.1932	0.2476
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0473	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0573	0.0735
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0042	0.0376	0.0512
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0042	0.0376	0.0512
Brugia malayi	Carboxylesterase family protein	0.0049	0.0573	0.0779
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0049	0.0573	0.0735
Loa Loa (eye worm)	carboxylesterase	0.0292	0.7356	0.9431
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.0376	0.0512
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0042	0.0376	0.0512
Echinococcus granulosus	neuroligin	0.0049	0.0573	0.0735
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0078	0.01
Echinococcus multilocularis	acetylcholinesterase	0.0292	0.7356	0.9431
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0042	0.0376	0.0482
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0042	0.0376	0.0482
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0104	0.2108	0.5
Schistosoma mansoni	patched 1	0.0045	0.0445	0.0445
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0042	0.0376	0.0376
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0078	0.01
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0042	0.0376	0.0376
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0078	0.01
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0573	0.0735
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.1988	0.2703
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0376	0.0482
Brugia malayi	Carboxylesterase family protein	0.0049	0.0573	0.0779
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0042	0.0376	0.0512
Onchocerca volvulus		0.0049	0.0573	0.0456
Echinococcus multilocularis	ecdysone induced protein 78C	0.0042	0.0376	0.0482
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0049	0.0573	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0042	0.0376	0.0482
Brugia malayi	ecdysteroid receptor	0.0197	0.4685	0.6369
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0078	0.0106
Brugia malayi	Steroid receptor seven-up type 2	0.0042	0.0376	0.0512
Brugia malayi	Carboxylesterase family protein	0.0049	0.0573	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0573	0.0735
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0042	0.0376	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0376	0.0482
Loa Loa (eye worm)	acetylcholinesterase 1	0.0292	0.7356	0.9431
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0049	0.0573	0.0735
Echinococcus granulosus	acetylcholinesterase	0.0292	0.7356	0.9431
Loa Loa (eye worm)	hypothetical protein	0.01	0.1988	0.2549
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0042	0.0376	0.0482
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0049	0.0573	0.0735
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.0445	0.057
Loa Loa (eye worm)	carboxylesterase	0.0049	0.0573	0.0735
Trichomonas vaginalis	spcc417.12 protein, putative	0.0049	0.0573	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0042	0.0376	0.0482
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0042	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0376	0.0482
Echinococcus granulosus	acetylcholinesterase	0.0292	0.7356	0.9431
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0042	0.0376	0.0482
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.1988	0.2549
Brugia malayi	Nuclear hormone receptor-like 1	0.0042	0.0376	0.0512
Schistosoma mansoni	hypothetical protein	0.0043	0.0399	0.0399
Onchocerca volvulus	Bile acid receptor homolog	0.0197	0.4685	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0078	0.0106
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0049	0.0573	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0042	0.0376	0.0512
Brugia malayi	Carboxylesterase family protein	0.0049	0.0573	0.0779
Schistosoma mansoni	hypothetical protein	0.0032	0.0078	0.0078
Onchocerca volvulus		0.0049	0.0573	0.0456
Echinococcus multilocularis	Niemann Pick C1 protein	0.0149	0.3359	0.4306
Schistosoma mansoni	hypothetical protein	0.0043	0.0399	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0573	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2108	0.2703
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0106	0.2154	0.2154
Echinococcus granulosus	ecdysone induced protein 78C	0.0042	0.0376	0.0482
Schistosoma mansoni	nuclear hormone receptor	0.0042	0.0376	0.0376
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0049	0.0573	0.0573
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.0376	0.0512
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0292	0.7356	0.7356
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1104	0.1415
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0473	0.0473
Onchocerca volvulus		0.0049	0.0573	0.0456
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0042	0.0376	0.0376
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0473	0.0643
Brugia malayi	Carboxylesterase family protein	0.0292	0.7356	1
Brugia malayi	nuclear hormone receptor	0.0042	0.0376	0.0512
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0078	0.01
Echinococcus multilocularis	protein dispatched 1	0.0051	0.0621	0.0797
Brugia malayi	RNA, U transporter 1	0.0082	0.1486	0.2021
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0042	0.0376	0.0512
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0042	0.0376	0.0512
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0473	0.0473
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0473	0.0606
Brugia malayi	photoreceptor-specific nuclear receptor	0.0042	0.0376	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0726	0.0931
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0042	0.0376	0.0482
Echinococcus multilocularis	FTZ F1 alpha	0.0042	0.0376	0.0482
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0042	0.0376	0.0512
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.0445	0.057
Schistosoma mansoni	hypothetical protein	0.0032	0.0078	0.0078
Schistosoma mansoni	hypothetical protein	0.0171	0.3955	0.3955
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0045	0.0445	0.057
Schistosoma mansoni	hypothetical protein	0.0032	0.0078	0.0078
Onchocerca volvulus		0.0049	0.0573	0.0456
Mycobacterium ulcerans	carboxylesterase, LipT	0.0049	0.0573	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0049	0.0573	0.0573
Brugia malayi	nuclear receptor NHR-88	0.0042	0.0376	0.0512
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.1104	0.1501
Schistosoma mansoni	acetylcholinesterase	0.0049	0.0573	0.0573
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0042	0.0376	0.0482
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0473	0.0606
Loa Loa (eye worm)	carboxylesterase	0.0049	0.0573	0.0735
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0042	0.0376	0.0482
Brugia malayi	hypothetical protein	0.0049	0.0573	0.0779
Echinococcus granulosus	Niemann Pick C1 protein	0.0104	0.2108	0.2703
Schistosoma mansoni	hypothetical protein	0.0043	0.0399	0.0399
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0042	0.0376	0.0482
Echinococcus multilocularis	carboxylesterase 5A	0.0292	0.7356	0.9431
Onchocerca volvulus		0.0049	0.0573	0.0456
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0042	0.0376	0.0482
Loa Loa (eye worm)	steroid hormone receptor	0.0042	0.0376	0.0482
Schistosoma mansoni	coup transcription factor	0.0042	0.0376	0.0376
Echinococcus multilocularis	expressed conserved protein	0.0098	0.1932	0.2476
Plasmodium vivax	importin-beta 2, putative	0.0029	0	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0049	0.0573	0.0573
Echinococcus multilocularis	Niemann Pick C1 protein	0.0104	0.2108	0.2703
Echinococcus granulosus	GPCR family 2	0.0032	0.0078	0.01
Schistosoma mansoni	gliotactin	0.0049	0.0573	0.0573
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0042	0.0376	0.0376
Echinococcus granulosus	geminin	0.0171	0.3955	0.507
Echinococcus granulosus	snurportin 1	0.0308	0.78	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0042	0.0376	0.0482
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0049	0.0573	0.0573
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0049	0.0573	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0292	0.7356	0.9431
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0078	0.01
Plasmodium falciparum	importin beta, putative	0.0029	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0042	0.0376	0.0482
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0042	0.0376	0.0482
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0049	0.0573	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0049	0.0573	1
Brugia malayi	steroid hormone receptor	0.0042	0.0376	0.0512
Echinococcus multilocularis	neuroligin	0.0049	0.0573	0.0735
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0042	0.0376	0.0512
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.0445	0.057
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0042	0.0376	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0376	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0292	0.7356	0.9431
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.1988	0.2703
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0376	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0573	0.0735
Echinococcus multilocularis	para nitrobenzyl esterase	0.0049	0.0573	0.0735

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 15000 nM	Agonist activity at kappa opioid receptor (unknown origin)	ChEMBL.	18502123
EC50 (functional)	= 15000 nM	Agonist activity at kappa opioid receptor (unknown origin)	ChEMBL.	18502123
IC50 (ADMET)	= 1 uM	Inhibition of CYP3A4 (unknown origin)	ChEMBL.	18502123
IC50 (ADMET)	= 1 uM	Inhibition of CYP3A4 (unknown origin)	ChEMBL.	18502123
IC50 (ADMET)	= 21 uM	Inhibition of CYP2D6 (unknown origin)	ChEMBL.	18502123
IC50 (ADMET)	= 21 uM	Inhibition of CYP2D6 (unknown origin)	ChEMBL.	18502123
Ki (binding)	= 3 nM	Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells	ChEMBL.	18502123
Ki (binding)	= 3 nM	Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells	ChEMBL.	18502123
Ki (binding)	= 18000 nM	Binding affinity at batrachotoxinin sensitive Sodium channel in rat brain	ChEMBL.	18502123

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: CHEMBL256988

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 509664