TDR Targets

Basic information

Technical information

TDR Targets ID: 1647488
Name: 1-(oxan-2-yl)benzimidazole
MW: 202.252 | Formula: C12H14N2O
H donors: 0 H acceptors: 1 LogP: 2.2 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: C1CCC(OC1)n1cnc2c1cccc2
InChi: 1S/C12H14N2O/c1-2-6-11-10(5-1)13-9-14(11)12-7-3-4-8-15-12/h1-2,5-6,9,12H,3-4,7-8H2
InChiKey: QTXPGEFPJIMPQF-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-tetrahydropyran-2-ylbenzimidazole
1-(2-tetrahydropyranyl)benzimidazole
NSC682531
NCI60_029534
1-Tetrahydro-2H-pyran-2-yl-1H-benzimidazole
AIDS-148988
AIDS148988

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	0.005	0.0175	0.0459
Brugia malayi	photoreceptor-specific nuclear receptor	0.0683	0.3813	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0361	0.1962	0.5146
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0181	0.0476
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0683	0.3813	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0081	0.0356	0.0934
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.1232	0.323
Brugia malayi	nuclear hormone receptor family member odr-7	0.0322	0.174	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1962	0.5146
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1962	0.5146
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0683	0.3813	1
Onchocerca volvulus		0.0683	0.3813	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0322	0.174	0.174
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0181	0.5098
Trichomonas vaginalis	inositol monophosphatase, putative	0.0081	0.0356	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0683	0.3813	0.3813
Onchocerca volvulus		0.0322	0.174	0.4316
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0683	0.3813	0.3813
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Brugia malayi	ecdysteroid receptor	0.0683	0.3813	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.015	0.0394
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0683	0.3813	1
Echinococcus multilocularis	importin subunit beta 1	0.0026	0.004	0.0104
Echinococcus granulosus	importin subunit beta 1	0.0026	0.004	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0073	0.0307	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.015	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0181	0.5098
Entamoeba histolytica	hypothetical protein	0.0021	0.0011	0.0317
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0683	0.3813	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0322	0.174	0.4564
Onchocerca volvulus		0.0322	0.174	0.4316
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0683	0.3813	0.3813
Onchocerca volvulus	Bile acid receptor homolog	0.0683	0.3813	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1962	0.5146
Brugia malayi	steroid hormone receptor	0.0683	0.3813	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0683	0.3813	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Brugia malayi	Inositol-1	0.0081	0.0356	0.0934
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1962	0.5146
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0081	0.0356	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0181	0.5098
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.015	0.015
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0322	0.174	0.4564
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0683	0.3813	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0081	0.0356	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0181	0.0476
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0181	0.5098
Schistosoma mansoni	nuclear hormone receptor	0.0683	0.3813	0.3813
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0322	0.174	0.4564
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0322	0.174	0.4316
Echinococcus granulosus	nuclear receptor nhr 48	0.0322	0.174	0.4564
Schistosoma mansoni	hypothetical protein	0.0048	0.0166	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0322	0.174	0.174
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0683	0.3813	1
Brugia malayi	ecdysone receptor	0.0322	0.174	0.4564
Schistosoma mansoni	nuclear receptor	0.0322	0.174	0.174
Leishmania major	importin beta-1 subunit, putative	0.0021	0.0011	0.0317
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0683	0.3813	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.0356	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0361	0.1962	0.5146
Brugia malayi	Nuclear hormone receptor E75	0.0322	0.174	0.4564
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0021	0.0011	0.0317
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0181	0.5098
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0683	0.3813	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0322	0.174	0.4564
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0683	0.3813	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0683	0.3813	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Brugia malayi	nuclear hormone receptor	0.0683	0.3813	1
Schistosoma mansoni	hypothetical protein	0.028	0.1496	0.1496
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0175	0.0459
Schistosoma mansoni	nuclear receptor	0.0322	0.174	0.174
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.015	0.0394
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.015	0.0394
Trypanosoma brucei	importin beta-1 subunit, putative	0.0026	0.004	0.1116
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.015	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0026	0.004	0.0104
Brugia malayi	RNA, U transporter 1	0.0074	0.0317	0.0832
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0683	0.3813	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.1246	0.3267
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0683	0.3813	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0683	0.3813	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.015	0.015
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.015	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.1232	0.323
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0683	0.3813	1
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0181	0.5098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0683	0.3813	1
Brugia malayi	MAP kinase sur-1	0.0051	0.0181	0.0476
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.028	0.1496	0.3924
Brugia malayi	Nuclear hormone receptor-like 1	0.0361	0.1962	0.5146
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0683	0.3813	0.3813
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0683	0.3813	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0175	0.0459
Echinococcus multilocularis	nuclear receptor nhr 48	0.0322	0.174	0.4564
Schistosoma mansoni	inositol monophosphatase	0.0081	0.0356	0.0356
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0322	0.174	0.4316
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0181	0.5098
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0085	0.0222
Echinococcus multilocularis	snurportin 1	0.028	0.1496	0.3924
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0021	0.0011	0.0317
Brugia malayi	nuclear receptor NHR-67	0.0322	0.174	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0085	0.0222
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0683	0.3813	0.3813
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0181	0.5098
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0683	0.3813	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0181	0.5098
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.0356	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0081	0.0356	1
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0181	1
Schistosoma mansoni	thyroid hormone receptor	0.0683	0.3813	0.3813
Loa Loa (eye worm)	hypothetical protein	0.0361	0.1962	0.5146
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0361	0.1962	0.1962
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0081	0.0356	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0361	0.1962	0.1962
Brugia malayi	Nuclear hormone receptor-like 1	0.0683	0.3813	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0181	0.5098
Loa Loa (eye worm)	steroid hormone receptor	0.0683	0.3813	1
Schistosoma mansoni	nuclear hormone receptor	0.0322	0.174	0.174
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0683	0.3813	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0361	0.1962	0.5146
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0181	0.0476
Brugia malayi	hypothetical protein	0.0236	0.1246	0.3267
Schistosoma mansoni	thyroid hormone receptor	0.0683	0.3813	0.3813
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0021	0.0011	0.0317
Brugia malayi	nuclear receptor NHR-88	0.0683	0.3813	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0322	0.174	0.4564
Schistosoma mansoni	zinc finger protein	0.0322	0.174	0.174
Echinococcus granulosus	inositol monophosphatase 1	0.0081	0.0356	0.0934
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0683	0.3813	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0683	0.3813	1
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1246	0.3267
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0175	0.0459
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0166	0.0435
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0683	0.3813	1
Schistosoma mansoni	inositol monophosphatase	0.0081	0.0356	0.0356
Echinococcus granulosus	FTZ F1 alpha	0.0683	0.3813	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0683	0.3813	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0322	0.174	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Brugia malayi	hypothetical protein	0.0322	0.174	0.4564
Loa Loa (eye worm)	nuclear hormone receptor	0.0322	0.174	0.4564
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0683	0.3813	1
Loa Loa (eye worm)	inositol-1	0.0081	0.0356	0.0934
Brugia malayi	nuclear receptor RXR	0.0361	0.1962	0.5146
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0683	0.3813	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0683	0.3813	1
Brugia malayi	tailless protein	0.0322	0.174	0.4564
Trichomonas vaginalis	importin beta-1, putative	0.0021	0.0011	0.0317
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0361	0.1962	0.5146
Brugia malayi	Nuclear hormone receptor E75	0.0322	0.174	0.4564
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0181	0.5098
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0683	0.3813	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0322	0.174	0.4564
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0683	0.3813	0.3813
Loa Loa (eye worm)	DR-78	0.0322	0.174	0.4564
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0181	0.0476
Brugia malayi	Steroid receptor seven-up type 2	0.0683	0.3813	1
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0166	0.0166
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0322	0.174	0.4564
Toxoplasma gondii	HEAT repeat-containing protein	0.0026	0.004	0.1116
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0322	0.174	0.4564
Onchocerca volvulus	Protein ultraspiracle homolog	0.0683	0.3813	1
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.1246	0.3267
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0683	0.3813	1
Schistosoma mansoni	nuclear hormone receptor	0.0322	0.174	0.174
Schistosoma mansoni	hypothetical protein	0.0034	0.0085	0.0085
Plasmodium falciparum	importin beta, putative	0.0026	0.004	1
Plasmodium vivax	importin-beta 2, putative	0.0026	0.004	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0683	0.3813	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0081	0.0356	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0322	0.174	0.4564
Brugia malayi	nuclear receptor NHR-88	0.0322	0.174	0.4564
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0322	0.174	0.4564
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0322	0.174	0.4564
Brugia malayi	nuclear receptor RXR	0.0322	0.174	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Echinococcus multilocularis	FTZ F1 alpha	0.0683	0.3813	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0322	0.174	0.4564
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.015	0.015
Brugia malayi	Importin beta-1 subunit	0.0026	0.004	0.0104
Trypanosoma brucei	importin beta-1 subunit, putative	0.0026	0.004	0.1116
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0181	0.0476
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0683	0.3813	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.0356	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0322	0.174	0.4564
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0683	0.3813	1
Brugia malayi	hypothetical protein	0.0361	0.1962	0.5146
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0073	0.0307	0.5
Brugia malayi	conserved hypotetical protein	0.0322	0.174	0.4564
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0683	0.3813	1
Trypanosoma brucei	protein kinase, putative	0.0051	0.0181	0.5098
Brugia malayi	hypothetical protein	0.0361	0.1962	0.5146
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0683	0.3813	0.3813
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Schistosoma mansoni	RAR-like nuclear receptor	0.0683	0.3813	0.3813
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.0356	1
Echinococcus granulosus	snurportin 1	0.028	0.1496	0.3924
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0181	0.5098
Echinococcus granulosus	ecdysone induced protein 78C	0.0683	0.3813	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0322	0.174	0.4564
Brugia malayi	nuclear hormone receptor	0.0322	0.174	0.4564
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0683	0.3813	1
Loa Loa (eye worm)	hypothetical protein	0.0683	0.3813	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0683	0.3813	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0081	0.0356	1
Schistosoma mansoni	importin beta-1	0.0026	0.004	0.004
Schistosoma mansoni	coup transcription factor	0.0683	0.3813	0.3813
Brugia malayi	hypothetical protein	0.0322	0.174	0.4564
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0683	0.3813	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0683	0.3813	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.174	0.4564
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0683	0.3813	0.3813

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	> 100 uM	Cytotoxicity against mock-infected human MT4 cells after 96 hrs by MTT assay	ChEMBL.	25082514
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1989547

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1647488