Detailed information for compound 415196

Basic information

Technical information
  • TDR Targets ID: 415196
  • Name: 5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6 H)-dione, 12,13-dihydro-6-(phenylmethyl)-
  • MW: 415.443 | Formula: C27H17N3O2
  • H donors: 2 H acceptors: 2 LogP: 5.32 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1n(Cc2ccccc2)c(=O)c2c1c1c([nH]c3c1cccc3)c1c2c2ccccc2[nH]1
  • InChi: 1S/C27H17N3O2/c31-26-22-20-16-10-4-6-12-18(16)28-24(20)25-21(17-11-5-7-13-19(17)29-25)23(22)27(32)30(26)14-15-8-2-1-3-9-15/h1-13,28-29H,14H2
  • InChiKey: BOWKECNQMUSQGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-Benzyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
  • AIDS-133181
  • AIDS133181
  • NSC628440
  • {5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione,} 12, 13-dihydro-6-(phenylmethyl)-
  • NCI60_009162

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis heat shock protein, putative 0.0037 0.0067 1
Loa Loa (eye worm) TOPoisomerase family member 0.0007 0.0006 0.0004
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0067 0.0157
Echinococcus multilocularis heat shock protein 90 0.0037 0.0067 0.0686
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0003 0.0001
Schistosoma mansoni endoplasmin 0.0037 0.0067 0.0701
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0014 0.0148
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0007 0.0074
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0067 0.0157
Brugia malayi steroid hormone receptor 0.0011 0.0014 0.0013
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0014 0.0148
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Chlamydia trachomatis DNA gyrase subunit B 0.0007 0.0006 0.5
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0014 0.0148
Brugia malayi nuclear receptor RXR 0.0006 0.0003 0.0001
Schistosoma mansoni cpg binding protein 0.0034 0.0062 0.0648
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0014 0.0132
Trypanosoma cruzi heat shock protein 90, putative 0.0037 0.0067 0.0157
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0014 0.0132
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0003 0.003
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0052 0.7454
Brugia malayi Endoplasmin precursor 0.0037 0.0067 0.0066
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0007 0.0006 0.0004
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0007 0.0006 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0001
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0014 0.0132
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Brugia malayi hypothetical protein 0.0006 0.0003 0.0001
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0014 0.0132
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0003 0.0001
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0014 0.0132
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0014 0.0132
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0014 0.0148
Brugia malayi nuclear hormone receptor 0.0011 0.0014 0.0013
Echinococcus multilocularis cpg binding protein 0.0034 0.0062 0.0633
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0067 0.0157
Echinococcus multilocularis heat shock protein 90 0.0029 0.0052 0.0522
Plasmodium falciparum heat shock protein 90 0.0037 0.0067 1
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0014 0.2229
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0014 0.0013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0007 0.0059
Toxoplasma gondii heat shock protein HSP90 0.0037 0.0067 0.5416
Schistosoma mansoni nuclear receptor 0.0005 0.0002 0.0016
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0003 0.0014
Plasmodium falciparum heat shock protein 90, putative 0.0015 0.0022 0.2588
Loa Loa (eye worm) histone methyltransferase 0.001 0.0011 0.001
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0135 0.1403
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0014 0.0132
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0052 0.7454
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0007 0.0006 0.0043
Trichomonas vaginalis heat shock protein, putative 0.0029 0.0052 0.7454
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Loa Loa (eye worm) endoplasmin 0.0037 0.0067 0.0066
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Chlamydia trachomatis DNA gyrase subunit B 0.0007 0.0006 0.5
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1875 0.3923 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0014 0.0013
Trichomonas vaginalis heat shock protein, putative 0.0023 0.0037 0.5166
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0014 0.2229
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Schistosoma mansoni heat shock protein 0.0015 0.0022 0.0227
Trypanosoma cruzi heat shock protein, putative 0.0015 0.0022 0.0041
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0011 0.0102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0014 0.0013
Brugia malayi kinase, mitochondrial precursor 0.0007 0.0006 0.0004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0014 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0014 0.0013
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0002 0.0016
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0004
Schistosoma mansoni nuclear receptor 0.0005 0.0002 0.0016
Entamoeba histolytica heat shock protein 90, putative 0.0037 0.0067 1
Loa Loa (eye worm) heat shock protein 75 0.0015 0.0022 0.002
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0014 0.0013
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0011 0.0102
Schistosoma mansoni pyruvate dehydrogenase 0.0007 0.0006 0.0062
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0003 0.003
Plasmodium falciparum endoplasmin, putative 0.0023 0.0037 0.5145
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Echinococcus granulosus endoplasmin 0.0029 0.0052 0.0522
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0014 0.0148
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0007 0.0006 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0014 0.0013
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0015 0.0022 0.357
Brugia malayi Hsp90 protein 0.0015 0.0022 0.002
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0014 0.0013
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0007 0.0059
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0007 0.0006 0.0046
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Echinococcus granulosus heat shock protein 0.0037 0.0067 0.0686
Trypanosoma cruzi Heat shock protein 83, putative 0.0037 0.0067 0.0157
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0003 0.0014
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0007 0.0006 0.0043
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0029 0.0052 0.0117
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Schistosoma mansoni DNA topoisomerase II 0.0007 0.0006 0.0062
Plasmodium vivax endoplasmin, putative 0.0037 0.0067 1
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0014 0.0013
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0014 0.0013
Schistosoma mansoni zinc finger protein 0.0005 0.0002 0.0016
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0014 0.0013
Brugia malayi Probable DNA topoisomerase II 0.0007 0.0006 0.0004
Echinococcus multilocularis heat shock protein 0.0037 0.0067 0.0686
Schistosoma mansoni cpg binding protein 0.0032 0.0058 0.0608
Trichomonas vaginalis endoplasmin, putative 0.0023 0.0037 0.5166
Trypanosoma cruzi heat shock protein 90, putative 0.0022 0.0036 0.0076
Leishmania major heat shock protein, putative 0.0015 0.0022 0.0041
Echinococcus granulosus heat shock protein 90 0.0037 0.0067 0.0686
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0014 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0014 0.0013
Trypanosoma cruzi heat shock protein 85, putative 0.0029 0.0052 0.0117
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0014 0.0132
Trichomonas vaginalis receptor histidine kinase, putative 0.0007 0.0006 0.0043
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0007 0.0006 0.0046
Trichomonas vaginalis receptor histidine kinase, putative 0.0007 0.0006 0.0043
Plasmodium vivax heat shock protein 86, putative 0.0037 0.0067 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0015 0.0022 0.0212
Treponema pallidum heat shock protein 90 0.0029 0.0052 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0015 0.0022 0.0212
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0014 0.0132
Trichomonas vaginalis heat shock protein, putative 0.0015 0.0022 0.262
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0014 0.0148
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0014 0.0132
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0014 0.0132
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0014 0.0148
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0007 0.0059
Onchocerca volvulus 0.0032 0.0058 1
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Mycobacterium ulcerans heat shock protein 90 0.0029 0.0052 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0014 0.0013
Echinococcus granulosus cpg binding protein 0.0034 0.0062 0.0633
Trichomonas vaginalis DNA topoisomerase II, putative 0.0007 0.0006 0.0043
Loa Loa (eye worm) hypothetical protein 0.4771 1 1
Echinococcus multilocularis endoplasmin 0.0029 0.0052 0.0522
Giardia lamblia Grp94/Hsp90 0.0029 0.0052 0.7443
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0014 0.0148
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1875 0.3923 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0015 0.0022 0.1402
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0067 0.0157
Echinococcus multilocularis dnaJ subfamily B 0.0462 0.0959 1
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1875 0.3923 1
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0014 0.0148
Plasmodium vivax heat shock protein 90, putative 0.0015 0.0022 0.2588
Brugia malayi hypothetical protein 0.0006 0.0003 0.0001
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0029 0.0052 1
Schistosoma mansoni cpg binding protein 0.0034 0.0062 0.0648
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0014 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0014 0.0013
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0007 0.0059
Schistosoma mansoni heat shock protein 0.0037 0.0067 0.0701
Plasmodium falciparum heat shock protein 90, putative 0.0015 0.0022 0.2588
Schistosoma mansoni endoplasmin 0.0037 0.0067 0.0701
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Trypanosoma brucei Heat shock protein 83, putative 0.0037 0.0067 0.0157
Toxoplasma gondii heat shock protein 75, putative 0.0015 0.0022 0.1402
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0002 0.0016
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0014 0.0148
Brugia malayi heat shock protein 90 0.0037 0.0067 0.0066
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0001
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0007 0.0006 0.0773
Loa Loa (eye worm) heat shock protein 90 0.0037 0.0067 0.0066
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Trypanosoma cruzi heat shock protein 90, putative 0.0029 0.0052 0.0117
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0014 0.0148
Giardia lamblia Heat shock protein HSP 90-alpha 0.0029 0.0052 0.7443
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0007 0.0006 0.0004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0014 0.0132
Onchocerca volvulus 0.0011 0.0014 0.2229
Leishmania major malonyl-coa decarboxylase-like protein 0.1875 0.3923 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0014 0.0013
Schistosoma mansoni coup transcription factor 0.0011 0.0014 0.0148
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0007 0.0006 0.0046
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0004
Schistosoma mansoni heat shock protein 0.0037 0.0067 0.0701
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0015 0.0022 0.2588
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0014 0.0132
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0014 0.0148
Brugia malayi ecdysteroid receptor 0.0011 0.0014 0.0013
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0014 0.0013
Brugia malayi nuclear receptor NHR-88 0.0011 0.0014 0.0013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0014 0.0132
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0003 0.0001
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0014 0.0013
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0029 0.0052 0.0046
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0119 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0014 0.0132
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0067 0.0157
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0011 0.0009
Trypanosoma brucei heat shock protein 84, putative 0.0015 0.0022 0.0041
Trichomonas vaginalis sensor histidine kinase, putative 0.0007 0.0006 0.0043
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0014 0.0132
Toxoplasma gondii heat shock protein 90, putative 0.0037 0.0067 0.5416
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0002 0.0016
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0002 0.0016
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0001
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0007 0.0006 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0014 0.0132
Giardia lamblia Heat shock protein HSP 90-alpha 0.0037 0.0067 1
Echinococcus granulosus dnaJ subfamily B 0.0462 0.0959 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0002 0.0016
Loa Loa (eye worm) hypothetical protein 0.0007 0.0006 0.0004
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0001
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0007 0.0006 0.0046
Plasmodium vivax heat shock protein, putative 0.0015 0.0022 0.2588
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0014 0.0132
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0013
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0007 0.0006 0.0043
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Schistosoma mansoni hypothetical protein 0.0462 0.0959 1
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0007 0.0006 0.0043
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0014 0.2229
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0014 0.0013
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0007 0.0006 0.0773
Echinococcus granulosus heat shock protein 90 0.0029 0.0052 0.0522
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0014 0.0013
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0058 0.0057
Brugia malayi CXXC zinc finger family protein 0.0032 0.0058 0.0057
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.4771 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0014 0.0013
Entamoeba histolytica heat shock protein 90, putative 0.0037 0.0067 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0029 0.0052 0.0522
Leishmania major heat shock protein 83-1 0.0037 0.0067 0.0157
Trypanosoma brucei heat shock protein, putative 0.0037 0.0067 0.0157
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0007 0.0006 0.0773
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0029 0.0052 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.681 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) -5.678 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) -5.626 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) -5.614 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) -5.597 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) -5.542 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) -5.451 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
IC50 (binding) = 90 uM Inihibition of human recombinant NQO1 ChEMBL. 17011189
IC50 (binding) = 90 uM Inihibition of human recombinant NQO1 ChEMBL. 17011189

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

Bibliographic References

1 literature reference was collected for this gene.

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