TDR Targets

Basic information

Technical information

TDR Targets ID: 14340
Name: 1-ethyl-3-[[1-(3-methylbutyl)benzimidazol-2-y l]methyl]benzimidazol-2-one
MW: 362.468 | Formula: C22H26N4O
H donors: 0 H acceptors: 2 LogP: 3.96 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(=O)n(c2c1cccc2)Cc1nc2c(n1CCC(C)C)cccc2
InChi: 1S/C22H26N4O/c1-4-24-19-11-7-8-12-20(19)26(22(24)27)15-21-23-17-9-5-6-10-18(17)25(21)14-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3
InChiKey: XYGHRARQRIURDK-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

1-ethyl-3-[(1-isopentylbenzimidazol-2-yl)methyl]benzimidazol-2-one
1-ethyl-3-[(1-isopentyl-2-benzimidazolyl)methyl]-2-benzimidazolone
1-ethyl-3-[(1-isoamylbenzimidazol-2-yl)methyl]benzimidazol-2-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Trichomonas vaginalis	aldehyde oxidase, putative	0.0182	0.5825	0.5
Schistosoma mansoni	zinc finger protein	0.0066	0.0953	0.1078
Brugia malayi	hypothetical protein	0.0066	0.0953	0.0953
Echinococcus multilocularis	FTZ F1 alpha	0.0139	0.4046	0.4575
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0139	0.4046	0.4575
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.103	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0139	0.4046	0.4046
Brugia malayi	hypothetical protein	0.0074	0.1284	0.1284
Brugia malayi	Nuclear hormone receptor-like 1	0.0139	0.4046	0.4046
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1284	0.1452
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0139	0.4046	0.4575
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0139	0.4046	0.4046
Brugia malayi	Nuclear hormone receptor E75	0.0066	0.0953	0.0953
Echinococcus granulosus	thyroid hormone receptor alpha	0.0066	0.0953	0.1078
Brugia malayi	hypothetical protein	0.0069	0.1097	0.1097
Schistosoma mansoni	coup transcription factor	0.0139	0.4046	0.4575
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0139	0.4046	0.4575
Brugia malayi	hypothetical protein	0.0074	0.1284	0.1284
Echinococcus multilocularis	jun protein	0.0088	0.1891	0.2139
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0241	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0139	0.4046	0.4046
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0182	0.5825	0.5
Loa Loa (eye worm)	hypothetical protein	0.0253	0.8843	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0043	0	0.5
Plasmodium falciparum	transporter, putative	0.0043	0	0.5
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0066	0.0953	0.0953
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1284	0.1452
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0241	0.0273
Brugia malayi	conserved hypotetical protein	0.0066	0.0953	0.0953
Echinococcus multilocularis	serotonin transporter	0.0253	0.8843	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1284	0.1452
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1284	0.1452
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0139	0.4046	0.4575
Onchocerca volvulus	Bile acid receptor homolog	0.0139	0.4046	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Echinococcus granulosus	serotonin transporter	0.0253	0.8843	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0139	0.4046	0.4046
Schistosoma mansoni	retinoic acid receptor RXR	0.0139	0.4046	0.4575
Schistosoma mansoni	nuclear hormone receptor	0.0066	0.0953	0.1078
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0139	0.4046	0.4046
Brugia malayi	TAR-binding protein	0.0067	0.103	0.103
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0066	0.0953	0.1078
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0066	0.0953	0.1078
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0058	0.0624	0.0705
Brugia malayi	bZIP transcription factor family protein	0.0088	0.1891	0.1891
Onchocerca volvulus		0.0066	0.0953	0.1078
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0139	0.4046	0.4575
Brugia malayi	Nuclear hormone receptor E75	0.0066	0.0953	0.0953
Brugia malayi	nuclear receptor NHR-67	0.0066	0.0953	0.0953
Onchocerca volvulus		0.0253	0.8843	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0074	0.1284	0.1452
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0088	0.1891	0.2139
Schistosoma mansoni	lipoxygenase	0.0058	0.0624	0.0705
Echinococcus granulosus	jun protein	0.0088	0.1891	0.2139
Brugia malayi	nuclear hormone receptor	0.0139	0.4046	0.4046
Treponema pallidum	sodium- and chloride- dependent transporter	0.0253	0.8843	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0074	0.1284	0.1452
Brugia malayi	RNA binding protein	0.0067	0.103	0.103
Loa Loa (eye worm)	RNA binding protein	0.0067	0.103	0.1164
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0139	0.4046	0.4046
Brugia malayi	tailless protein	0.0066	0.0953	0.0953
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0139	0.4046	0.4046
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.103	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Loa Loa (eye worm)	fli-1 protein	0.0234	0.8041	0.9093
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0253	0.8843	0.8843
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0139	0.4046	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0074	0.1284	0.1452
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0965	0.1092
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0139	0.4046	0.4046
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0241	0.0273
Echinococcus granulosus	tar DNA binding protein	0.0067	0.103	0.1164
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0066	0.0953	0.1078
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0241	0.0273
Brugia malayi	Cytochrome P450 family protein	0.0051	0.0341	0.0341
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0043	0	0.5
Brugia malayi	nuclear receptor NHR-88	0.0139	0.4046	0.4046
Plasmodium vivax	amine transporter, putative	0.0043	0	0.5
Brugia malayi	orphan nuclear receptor NR2E1	0.0066	0.0953	0.0953
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Schistosoma mansoni	nuclear hormone receptor	0.0139	0.4046	0.4575
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0139	0.4046	0.4575
Loa Loa (eye worm)	serotonin transporter b	0.0253	0.8843	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0058	0.0624	0.0705
Echinococcus granulosus	GA binding protein alpha chain	0.0077	0.1436	0.1624
Loa Loa (eye worm)	cytochrome P450 family protein	0.0051	0.0341	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0139	0.4046	0.4575
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0066	0.0953	0.1078
Brugia malayi	ecdysone receptor	0.0066	0.0953	0.0953
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0139	0.4046	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0066	0.0953	0.1078
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.012	0.3248	1
Schistosoma mansoni	gabp alpha	0.0077	0.1436	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0139	0.4046	0.4575
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0253	0.8843	1
Brugia malayi	hypothetical protein	0.0066	0.0953	0.0953
Brugia malayi	nuclear hormone receptor	0.0066	0.0953	0.0953
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0086	0.1791	0.4783
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0241	0.0273
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0077	0.1436	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0241	0.0273
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.103	0.1164
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0139	0.4046	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0253	0.8843	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0066	0.0953	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0066	0.0953	0.1078
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0066	0.0953	0.1078
Loa Loa (eye worm)	norepinephrine transporter	0.0253	0.8843	1
Loa Loa (eye worm)	DR-78	0.0066	0.0953	0.1078
Brugia malayi	steroid hormone receptor	0.0139	0.4046	0.4046
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0139	0.4046	0.4575
Brugia malayi	nuclear receptor NHR-88	0.0066	0.0953	0.0953
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0139	0.4046	0.4575
Onchocerca volvulus		0.0139	0.4046	0.4575
Onchocerca volvulus		0.0069	0.1097	0.124
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0139	0.4046	0.4575
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0139	0.4046	0.4575
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0066	0.0953	0.1078
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0139	0.4046	0.4046
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0066	0.0953	0.1078
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0139	0.4046	0.4046
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0139	0.4046	0.4046
Schistosoma mansoni	nuclear receptor	0.0066	0.0953	0.1078
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.103	0.1164
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.0086	0.1791	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0066	0.0953	0.1078
Schistosoma mansoni	sodium/chloride dependent transporter	0.0253	0.8843	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0066	0.0953	0.1078
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0139	0.4046	0.4575
Onchocerca volvulus	Protein ultraspiracle homolog	0.0139	0.4046	0.4575
Schistosoma mansoni	nuclear hormone receptor	0.0066	0.0953	0.1078
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.0061	0.0769	0.1125
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0139	0.4046	0.4575
Echinococcus granulosus	FTZ F1 alpha	0.0139	0.4046	0.4575
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0139	0.4046	0.4046
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0139	0.4046	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0139	0.4046	0.4575
Schistosoma mansoni	hypothetical protein	0.0072	0.1198	0.1355
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Echinococcus multilocularis	GA binding protein alpha chain	0.0077	0.1436	0.1624
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0139	0.4046	0.4575
Schistosoma mansoni	RAR-like nuclear receptor	0.0139	0.4046	0.4575
Echinococcus multilocularis	ecdysone induced protein 78C	0.0139	0.4046	0.4575
Schistosoma mansoni	jun-related protein	0.0072	0.1198	0.1355
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0043	0	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.103	0.103
Loa Loa (eye worm)	hypothetical protein	0.0086	0.179	0.2024
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0066	0.0953	0.0953
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0139	0.4046	0.4575
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0139	0.4046	0.4575
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.0086	0.1791	0.4783
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0139	0.4046	0.4575
Echinococcus granulosus	nuclear receptor nhr 48	0.0066	0.0953	0.1078
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0043	0	0.5
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.0061	0.0769	0.1125
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.4046	0.4575
Brugia malayi	Nuclear hormone receptor-like 1	0.0074	0.1284	0.1284
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0066	0.0953	0.1078
Brugia malayi	Fli-1 protein	0.0234	0.8041	0.8041
Onchocerca volvulus		0.0066	0.0953	0.1078
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0241	0.0241
Plasmodium vivax	hypothetical protein, conserved	0.0043	0	0.5
Plasmodium falciparum	amino acid transporter, putative	0.0043	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0253	0.8843	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0066	0.0953	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.103	0.1164
Brugia malayi	Nuclear hormone receptor-like 1	0.0074	0.1284	0.1284
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.103	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0119	0.3191	0.3608
Echinococcus granulosus	ecdysone induced protein 78C	0.0139	0.4046	0.4575
Brugia malayi	nuclear receptor RXR	0.0074	0.1284	0.1284
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0241	0.0273
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0088	0.1891	0.2139
Toxoplasma gondii	hypothetical protein	0.0043	0	0.5
Toxoplasma gondii	hypothetical protein	0.0043	0	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0066	0.0953	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1284	0.1452
Schistosoma mansoni	nuclear receptor	0.0066	0.0953	0.1078
Schistosoma mansoni	thyroid hormone receptor	0.0139	0.4046	0.4575
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0139	0.4046	0.4575
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.103	0.1164
Brugia malayi	nuclear hormone receptor family member odr-7	0.0066	0.0953	0.0953
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0139	0.4046	0.4046
Brugia malayi	photoreceptor-specific nuclear receptor	0.0139	0.4046	0.4046
Brugia malayi	nuclear receptor RXR	0.0066	0.0953	0.0953
Brugia malayi	Ets-domain containing protein	0.0077	0.1436	0.1436
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0182	0.5825	0.5
Schistosoma mansoni	ets-related	0.0234	0.8041	0.9093
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0074	0.1284	0.1452
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0066	0.0953	0.1078
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0139	0.4046	0.4575
Schistosoma mansoni	nuclear receptor nhr-48	0.0066	0.0953	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0953	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0139	0.4046	0.4575
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.103	0.1164
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0139	0.4046	0.4575
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0253	0.8843	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0139	0.4046	0.4575
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0139	0.4046	0.4575
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0139	0.4046	0.4575
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0066	0.0953	0.1078
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0074	0.1284	0.1452
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0241	0.0273
Loa Loa (eye worm)	steroid hormone receptor	0.0139	0.4046	0.4575
Brugia malayi	Ets-domain containing protein	0.0077	0.1436	0.1436
Brugia malayi	ecdysteroid receptor	0.0139	0.4046	0.4046
Brugia malayi	Steroid receptor seven-up type 2	0.0139	0.4046	0.4046

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 18.6 uM	Cytotoxic activity against uninfected HEp-2 human lung epithelial carcinoma cell line	ChEMBL.	14980651
CC50 (functional)	= 18.6 uM	Cytotoxic activity against uninfected HEp-2 human lung epithelial carcinoma cell line	ChEMBL.	14980651
EC50 (functional)	= 0.011 uM	Antiviral activity against respiratory syncytial virus in HEp-2 human lung epithelial carcinoma cell line	ChEMBL.	14980651
EC50 (functional)	= 0.011 uM	Antiviral activity against respiratory syncytial virus in HEp-2 human lung epithelial carcinoma cell line	ChEMBL.	14980651
Therapeutic index (ADMET)	= 1690	Therapeutic index expressed as the ratio between CC50 and EC50	ChEMBL.	14980651

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	14980651

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: 23551355

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 14340