TDR Targets

Basic information

Technical information

TDR Targets ID: 36561
Name: 5-(dibutylamino)-N-(3,4-dimethyl-1,2-oxazol-5 -yl)naphthalene-1-sulfonamide
MW: 429.576 | Formula: C23H31N3O3S
H donors: 1 H acceptors: 3 LogP: 5.87 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(c1cccc2c1cccc2S(=O)(=O)Nc1onc(c1C)C)CCCC
InChi: 1S/C23H31N3O3S/c1-5-7-15-26(16-8-6-2)21-13-9-12-20-19(21)11-10-14-22(20)30(27,28)25-23-17(3)18(4)24-29-23/h9-14,25H,5-8,15-16H2,1-4H3
InChiKey: HTBQRHCUFQDSRI-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

5-(dibutylamino)-N-(3,4-dimethylisoxazol-5-yl)naphthalene-1-sulfonamide
5-(dibutylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Endothelin receptor ET-A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	Endothelin receptor ET-A	426 aa	412 aa	21.1 %
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	Endothelin receptor ET-A	426 aa	412 aa	20.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Protein ultraspiracle homolog	0.0069	0.0487	0.1547
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0044	0.0145	0.0145
Trypanosoma brucei	DNA topoisomerase type IB small subunit	0.0053	0.0271	0.0584
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0158	0.1667	0.3989
Trichomonas vaginalis	rap1 and, putative	0.029	0.3413	0.8498
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0181	0.0109
Brugia malayi	polk-prov protein	0.0035	0.0031	0.0091
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0037	0.0052	0.0052
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0069	0.0487	0.0487
Brugia malayi	Nuclear hormone receptor-like 1	0.0069	0.0487	0.1427
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0163	0.1724	0.8675
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0333	0.3985	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0069	0.0487	0.0487
Brugia malayi	DNA topoisomerase I	0.0212	0.2372	0.695
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0181	0.0109
Trypanosoma brucei	trypanothione reductase	0.0043	0.0137	0.0258
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0069	0.0487	0.1427
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0069	0.0487	0.0487
Echinococcus multilocularis	transfer RNA-Lys	0.0041	0.011	0.011
Schistosoma mansoni	retinoic acid receptor RXR	0.0069	0.0487	0.0487
Echinococcus multilocularis	ecdysone induced protein 78C	0.0069	0.0487	0.0487
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0000038473	0.0000038473
Schistosoma mansoni	RAR-like nuclear receptor	0.0069	0.0487	0.0487
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0069	0.0487	0.1427
Onchocerca volvulus	Bile acid receptor homolog	0.0069	0.0487	0.1547
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0059	0.0348	0.0527
Echinococcus granulosus	DNA topoisomerase 1	0.0212	0.2372	0.2372
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0069	0.0487	0.0487
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.0052	0.0153
Trypanosoma brucei	DNA polymerase IV, putative	0.0046	0.0181	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0207	0.0176
Echinococcus granulosus	ecdysone induced protein 78C	0.0069	0.0487	0.0487
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0069	0.0487	0.0487
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0163	0.1727	0.3978
Brugia malayi	glutathione reductase	0.0043	0.0137	0.0402
Schistosoma mansoni	aryl hydrocarbon receptor	0.0055	0.0301	0.0301
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0017	0.0017
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0069	0.0487	0.0487
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Echinococcus multilocularis	FTZ F1 alpha	0.0069	0.0487	0.0487
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0037	0.0052	0.0052
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0017	0.0017
Onchocerca volvulus		0.0069	0.0487	0.1547
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0163	0.1724	0.8655
Brugia malayi	hypoxia-induced factor 1	0.0172	0.1842	0.5396
Brugia malayi	hypothetical protein	0.0037	0.0052	0.0153
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0069	0.0487	0.0487
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0069	0.0487	0.1427
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0048	0.0207	0.043
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0237	0.2712	0.7946
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0069	0.0487	0.0487
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0033	0.0000038473	0.0000038473
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0069	0.0487	0.1427
Brugia malayi	steroid hormone receptor	0.0069	0.0487	0.1427
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0069	0.0487	0.1427
Plasmodium falciparum	topoisomerase I	0.0212	0.2372	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Brugia malayi	nuclear receptor NHR-88	0.0069	0.0487	0.1427
Loa Loa (eye worm)	glutathione reductase	0.0043	0.0137	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0052	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0069	0.0487	0.1427
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0069	0.0487	0.1427
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0069	0.0487	0.0487
Brugia malayi	bHLH-PAS transcription factor	0.0041	0.011	0.0321
Brugia malayi	nuclear receptor RXR	0.0037	0.0052	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0069	0.0487	0.1427
Echinococcus granulosus	FTZ F1 alpha	0.0069	0.0487	0.0487
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Trichomonas vaginalis	GTP-binding protein rit, putative	0.029	0.3413	0.8498
Leishmania major	DNA topoisomerase type IB small subunit	0.0053	0.0271	0.0334
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0163	0.1727	0.3978
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0017	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0069	0.0487	0.1427
Schistosoma mansoni	DNA topoisomerase type I	0.0212	0.2372	0.2372
Brugia malayi	PAS domain containing protein	0.0055	0.0301	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0048	0.0207	0.0176
Brugia malayi	Thioredoxin reductase	0.0043	0.0137	0.0402
Brugia malayi	Nuclear hormone receptor-like 1	0.0037	0.0052	0.0153
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0017	0.0017
Brugia malayi	nuclear hormone receptor	0.0069	0.0487	0.1427
Schistosoma mansoni	single-minded	0.0055	0.0301	0.0301
Leishmania major	DNA topoisomerase IB, large subunit	0.0158	0.1667	0.383
Plasmodium vivax	thioredoxin reductase, putative	0.0043	0.0137	0.0512
Echinococcus granulosus	single minded 2	0.0041	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0031	0.0091
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.0053	0.0271	0.0334
Schistosoma mansoni	coup transcription factor	0.0069	0.0487	0.0487
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0069	0.0487	0.0487
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0069	0.0487	0.1427
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0069	0.0487	0.1427
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0333	0.3985	1
Echinococcus multilocularis	ras gtpase	0.029	0.3413	0.3413
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0017	0.0017
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0069	0.0487	0.1427
Trichomonas vaginalis	set domain proteins, putative	0.027	0.3147	0.7798
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0109	0.1016	0.1705
Loa Loa (eye worm)	steroid hormone receptor	0.0069	0.0487	0.1427
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0069	0.0487	0.1427
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Plasmodium vivax	glutathione reductase, putative	0.0043	0.0137	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0052	0.0153
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0069	0.0487	0.0487
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Brugia malayi	Steroid receptor seven-up type 2	0.0069	0.0487	0.1427
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0017	0.0017
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0109	0.1016	0.4791
Leishmania major	mitochondrial DNA polymerase beta	0.0344	0.4132	1
Onchocerca volvulus		0.0034	0.0017	0.0053
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Schistosoma mansoni	microtubule-associated protein tau	0.0786	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0181	0.0109
Treponema pallidum	fructose-bisphosphate aldolase	0.0333	0.3985	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0033	0.0000038473	0.0000038473
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0069	0.0487	0.1547
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0069	0.0487	0.0487
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0069	0.0487	0.0487
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0069	0.0487	0.0487
Mycobacterium tuberculosis	Probable oxidoreductase	0.0109	0.1016	0.4791
Trypanosoma brucei	unspecified product	0.0039	0.0082	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Loa Loa (eye worm)	DNA topoisomerase I	0.0212	0.2372	0.695
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0344	0.4132	1
Mycobacterium ulcerans	hypothetical protein	0.0181	0.1971	1
Loa Loa (eye worm)	hypothetical protein	0.0186	0.2033	0.5956
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0344	0.4132	1
Plasmodium vivax	topoisomerase I, putative	0.0212	0.2372	1
Loa Loa (eye worm)	Ras protein let-60	0.029	0.3413	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0069	0.0487	0.1427
Trypanosoma brucei	DNA polymerase IV, putative	0.0046	0.0181	0.0365
Onchocerca volvulus		0.027	0.3147	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Schistosoma mansoni	DNA topoisomerase type I	0.0158	0.1667	0.1667
Mycobacterium ulcerans	DNA polymerase IV	0.0046	0.0181	0.0383
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0069	0.0487	0.0487
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0163	0.1724	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0069	0.0487	0.0487
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Echinococcus granulosus	ras gtpase	0.029	0.3413	0.3413
Giardia lamblia	Fructose-bisphosphate aldolase	0.0333	0.3985	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0046	0.0181	0.0109
Trichomonas vaginalis	dexras1, putative	0.029	0.3413	0.8498
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0333	0.3985	1
Schistosoma mansoni	thyroid hormone receptor	0.0069	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0052	0.0153
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0037	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0052	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Trichomonas vaginalis	ral, putative	0.029	0.3413	0.8498
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0052	0.0153
Echinococcus granulosus	thyroid hormone receptor alpha	0.0033	0.0000038473	0.0000038473
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0163	0.1727	0.4134
Echinococcus multilocularis	dna polymerase kappa	0.0046	0.0181	0.0181
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Onchocerca volvulus		0.0041	0.011	0.0348
Echinococcus granulosus	nuclear receptor nhr 48	0.0033	0.0000038473	0.0000038473
Schistosoma mansoni	nuclear hormone receptor	0.0069	0.0487	0.0487
Echinococcus granulosus	thioredoxin glutathione reductase	0.0044	0.0145	0.0145
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0069	0.0487	0.1427
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0037	0.0052	0.0153
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0017	0.0017
Schistosoma mansoni	thyroid hormone receptor	0.0069	0.0487	0.0487
Toxoplasma gondii	thioredoxin reductase	0.0043	0.0137	0.0512
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0344	0.4132	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0069	0.0487	0.0487
Brugia malayi	photoreceptor-specific nuclear receptor	0.0069	0.0487	0.1427
Schistosoma mansoni	DNA topoisomerase type I	0.0158	0.1667	0.1667
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0098	0.087	0.3997
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0109	0.1016	0.4791
Brugia malayi	Pre-SET motif family protein	0.0034	0.0017	0.0049
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0098	0.087	0.3997
Brugia malayi	ecdysteroid receptor	0.0069	0.0487	0.1427
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0181	0.1971	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0046	0.0181	0.0365
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0033	0.0000038473	0.0000038473
Trichomonas vaginalis	ras-dva small GTPase, putative	0.029	0.3413	0.8498
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0207	0.0176
Mycobacterium tuberculosis	Probable dehydrogenase	0.0098	0.087	0.3997
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0172	0.1842	0.5396
Loa Loa (eye worm)	hypothetical protein	0.029	0.3413	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0098	0.087	0.3997
Brugia malayi	Ras protein let-60	0.029	0.3413	1
Echinococcus multilocularis	DNA topoisomerase 1	0.0212	0.2372	0.2372
Toxoplasma gondii	hypothetical protein	0.0056	0.0302	0.1211
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0017	0.0049
Brugia malayi	Ras-related protein R-Ras2	0.029	0.3413	1
Toxoplasma gondii	DNA topoisomerase I, putative	0.0212	0.2372	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0098	0.087	0.3997
Echinococcus granulosus	dna polymerase kappa	0.0046	0.0181	0.0181
Echinococcus multilocularis	microtubule associated protein 2	0.0786	1	1
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0158	0.1667	0.383
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0069	0.0487	0.0487
Trichomonas vaginalis	rheb, putative	0.029	0.3413	0.8498
Loa Loa (eye worm)	thioredoxin reductase	0.0043	0.0137	0.0402
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0069	0.0487	0.1427
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0069	0.0487	0.1427
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0069	0.0487	0.0487
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0082	0.0124
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0037	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0487	0.1427
Brugia malayi	hypothetical protein	0.0186	0.2033	0.5956
Brugia malayi	hypothetical protein	0.0037	0.0052	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0069	0.0487	0.1427
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0069	0.0487	0.1427
Mycobacterium ulcerans	DNA polymerase IV	0.0046	0.0181	0.0383
Mycobacterium tuberculosis	Probable reductase	0.0098	0.087	0.3997
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0069	0.0487	0.0487
Brugia malayi	Pre-SET motif family protein	0.0237	0.2712	0.7946
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0069	0.0487	0.1427
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0069	0.0487	0.0487

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15.9 uM	Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.	ChEMBL.	7731020
IC50 (binding)	= 15.9 uM	Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.	ChEMBL.	7731020

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

PubChem: 9980084

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 36561