Detailed information for compound 1637801

Basic information

Technical information
  • TDR Targets ID: 1637801
  • Name: [(3S,8R,9S,10R,13S,14S,17S)-16-[(4-dimethylam inophenyl)methylidene]-10,13-dimethyl-3-pyrro lidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodec ahydrocyclopenta[a]phenanthren-17-yl] acetate
  • MW: 516.757 | Formula: C34H48N2O2
  • H donors: 0 H acceptors: 1 LogP: 6.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)O[C@H]1/C(=C/c2ccc(cc2)N(C)C)/C[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)N1CCCC1
  • InChi: 1S/C34H48N2O2/c1-23(37)38-32-25(20-24-8-11-27(12-9-24)35(4)5)21-31-29-13-10-26-22-28(36-18-6-7-19-36)14-16-33(26,2)30(29)15-17-34(31,32)3/h8-12,20,28-32H,6-7,13-19,21-22H2,1-5H3/b25-20+/t28-,29+,30-,31-,32-,33-,34-/m0/s1
  • InChiKey: DQGRKGXQBAWZMX-ZSSAHIQMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-dimethylaminophenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3S,8R,9S,10R,13S,14S,17S)-16-[(4-dimethylaminophenyl)methylene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-dimethylaminophenyl)methylene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • acetic acid [(3S,8R,9S,10R,13S,14S,17S)-16-[(4-dimethylaminophenyl)methylene]-10,13-dimethyl-3-1-pyrrolidinyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-dimethylaminophenyl)methylene]-10,13-dimethyl-3-1-pyrrolidinyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(3S,8R,9S,10R,13S,14S,17S)-16-(4-dimethylaminobenzylidene)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(3S,8R,9S,10R,13S,14S,16E,17S)-16-(4-dimethylaminobenzylidene)-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
  • [(3S,8R,9S,10R,13S,14S,17S)-16-[(4-dimethylaminophenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • [(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-dimethylaminophenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • 16-(4-Dimethylaminobenzylidene)-3.beta.-pyrrolidino-5-androsten-17.beta.-ylacetate
  • NSC707186
  • NCI60_038113

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
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0136 0.1013
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1298 1 1
Brugia malayi hypothetical protein 0.0012 0.0055 0.0354
Echinococcus granulosus importin subunit beta 1 0.0032 0.0214 0.0773
Leishmania major pteridine reductase 1 0.0088 0.0644 1
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0136 0.0477
Loa Loa (eye worm) retinol dehydrogenase 12 0.0088 0.0644 0.2418
Plasmodium vivax importin-beta 2, putative 0.0032 0.0214 0.0203
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0167
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0214 0.0203
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0045 0.013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0369 0.1367
Brugia malayi ecdysteroid receptor 0.0022 0.0136 0.1013
Schistosoma mansoni ran 0.0024 0.0148 0.0563
Loa Loa (eye worm) histone methyltransferase 0.001 0.0041 0.0113
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0088 0.0644 0.2418
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0369 0.2902
Brugia malayi CXXC zinc finger family protein 0.0032 0.0213 0.1633
Trichomonas vaginalis helicase, putative 0.0007 0.0021 0.0009
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0136 0.0519
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0088 0.0644 0.2451
Entamoeba histolytica hypothetical protein 0.0026 0.0167 0.2452
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0136 0.0477
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.001 0.0045 0.0173
Schistosoma mansoni hypothetical protein 0.0052 0.0369 0.1405
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0148 0.0137
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0055 0.0354
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0167
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0021 0.0009
Trichomonas vaginalis ran, putative 0.0024 0.0148 0.0137
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0021 0.0009
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0045 0.013
Brugia malayi nuclear hormone receptor 0.0022 0.0136 0.1013
Trypanosoma brucei pteridine reductase 1 0.0088 0.0644 1
Onchocerca volvulus 0.0022 0.0136 0.1518
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0021 0.0009
Loa Loa (eye worm) hypothetical protein 0.0165 0.1244 0.4711
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0021 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0136 0.1013
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Brugia malayi Nuclear hormone receptor E75 0.001 0.0045 0.0275
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1298 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0136 0.0519
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0026 0.0056
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0088 0.0644 0.5133
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0136 0.1013
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0148 0.0203
Brugia malayi conserved hypotetical protein 0.001 0.0045 0.0275
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0088 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0167
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0369 0.0531
Plasmodium falciparum importin beta, putative 0.0032 0.0214 0.0203
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0136 0.1013
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0045 0.013
Schistosoma mansoni dihydropteridine reductase 0.0088 0.0644 0.2451
Brugia malayi Calcitonin receptor-like protein seb-1 0.0165 0.1244 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0167 0.0155
Plasmodium falciparum enoyl-acyl carrier reductase 0.1298 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0045 0.005
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0088 0.0644 0.0633
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0136 0.0477
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0369 0.0531
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0167
Brugia malayi latrophilin 2 splice variant baaae 0.0113 0.0839 0.6715
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0214 0.3198
Onchocerca volvulus 0.0032 0.0213 0.2796
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0021 0.0009
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0214 0.03
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0088 0.0644 0.5133
Echinococcus multilocularis cpg binding protein 0.0034 0.0227 0.032
Schistosoma mansoni cpg binding protein 0.0034 0.0227 0.0864
Entamoeba histolytica Ran family GTPase 0.0024 0.0148 0.2157
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0088 0.0644 0.2418
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0026 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0021 0.0009
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0045 0.013
Schistosoma mansoni nuclear hormone receptor 0.001 0.0045 0.0173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0136 0.0477
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0136 0.0477
Schistosoma mansoni nuclear hormone receptor 0.001 0.0045 0.0173
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0435 0.0424
Echinococcus granulosus snurportin 1 0.0344 0.2627 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0213 0.0769
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0136 0.0477
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0136 0.0185
Echinococcus multilocularis GPCR, family 2 0.0052 0.0369 0.0531
Trypanosoma brucei oxidoreductase-like protein 0.0088 0.0644 1
Schistosoma mansoni nuclear receptor 0.001 0.0045 0.0173
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0167
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1298 1 1
Schistosoma mansoni importin-beta 2 0.0006 0.0012 0.0044
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0136 0.0477
Schistosoma mansoni hypothetical protein 0.0052 0.0369 0.1405
Schistosoma mansoni zinc finger protein 0.001 0.0045 0.0173
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0045 0.013
Brugia malayi nuclear receptor NHR-67 0.001 0.0045 0.0275
Leishmania major importin beta-1 subunit, putative 0.0026 0.0167 0.2452
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0136 0.1013
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0088 0.0644 1
Schistosoma mansoni hypothetical protein 0.0113 0.0839 0.3193
Brugia malayi nuclear hormone receptor 0.001 0.0045 0.0275
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0136 0.0477
Loa Loa (eye worm) DR-78 0.001 0.0045 0.013
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0136 0.1013
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0045 0.013
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0136 0.0477
Loa Loa (eye worm) hypothetical protein 0.0052 0.0369 0.1367
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0045 0.005
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0088 0.0644 0.0939
Brugia malayi hypothetical protein 0.0012 0.0055 0.0354
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0136 0.1013
Leishmania major oxidoreductase-like protein 0.0088 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0045 0.005
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0167 0.0377
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0136 0.1013
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0369 0.2902
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0012 0.0055 0.021
Brugia malayi hypothetical protein 0.001 0.0045 0.0275
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0136 0.0477
Brugia malayi RNA, U transporter 1 0.0092 0.0674 0.5374
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0148 0.0521
Brugia malayi nuclear receptor RXR 0.0012 0.0055 0.0354
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0045 0.013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0136 0.0519
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0012 0.0055 0.0167
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0136 0.0519
Schistosoma mansoni importin beta-1 0.0032 0.0214 0.0814
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1298 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0088 0.0644 1
Echinococcus granulosus GPCR family 2 0.0052 0.0369 0.1367
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0136 0.1013
Schistosoma mansoni hypothetical protein 0.0344 0.2627 1
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0045 0.0275
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0136 0.0519
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0088 0.0644 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0136 0.0185
Schistosoma mansoni cpg binding protein 0.0034 0.0227 0.0864
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0136 0.0477
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0045 0.005
Onchocerca volvulus 0.0088 0.0644 1
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0136 0.0477
Leishmania major GTP-binding protein, putative 0.0024 0.0148 0.2157
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0088 0.0644 1
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0088 0.0644 0.0633
Loa Loa (eye worm) hypothetical protein 0.0032 0.0214 0.0773
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0136 0.0477
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0369 0.1367
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0088 0.0644 0.0633
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0136 0.0519
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0045 0.0275
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Schistosoma mansoni nuclear receptor 0.001 0.0045 0.0173
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0045 0.013
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0167 0.0155
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0136 0.1518
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0136 0.0185
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0041 0.0044
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0045 0.005
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0148 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0088 0.0644 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0136 0.1013
Schistosoma mansoni nuclear receptor nhr-48 0.001 0.0045 0.0173
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0012 0.0055 0.0167
Brugia malayi Importin beta-1 subunit 0.0032 0.0214 0.1641
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0136 0.1013
Loa Loa (eye worm) hypothetical protein 0.0113 0.0839 0.3163
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0148 0.2157
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Brugia malayi nuclear receptor NHR-88 0.0022 0.0136 0.1013
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0136 0.0477
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0136 0.1013
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0088 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0491 0.187
Loa Loa (eye worm) oxidoreductase 0.0088 0.0644 0.2418
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0136 0.0185
Schistosoma mansoni cpg binding protein 0.0032 0.0213 0.081
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0136 0.1013
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0088 0.0644 0.0633
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0026 0.0099
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Brugia malayi steroid hormone receptor 0.0022 0.0136 0.1013
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0136 0.1013
Schistosoma mansoni hypothetical protein 0.0052 0.0369 0.1405
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0136 0.0185
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0136 0.0477
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0136 0.0519
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0012 0.0055 0.0065
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0136 0.0185
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0136 0.1518
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0165 0.1244 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0055 0.0354
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.004 0.0233
Echinococcus granulosus cpg binding protein 0.0034 0.0227 0.0824
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0021 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0344 0.2627 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0045 0.0275
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0136 0.0519
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0136 0.0477
Schistosoma mansoni coup transcription factor 0.0022 0.0136 0.0519
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1298 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0088 0.0644 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0214 0.3198
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0045 0.013
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0041 0.0113
Brugia malayi tailless protein 0.001 0.0045 0.0275
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0055 0.021
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0136 0.0519
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.001 0.0045 0.013
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0148 0.0137
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0136 0.0519
Onchocerca volvulus 0.0088 0.0644 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0136 0.1013
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0148 0.0521
Loa Loa (eye worm) hypothetical protein 0.0022 0.0136 0.0477
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1298 1 1
Schistosoma mansoni ran 0.0024 0.0148 0.0563
Brugia malayi hypothetical protein 0.001 0.0045 0.0275
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0136 0.0185
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0136 0.0185
Schistosoma mansoni hypothetical protein 0.0052 0.0369 0.1405
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0167 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0021 0.0009
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0165 0.1244 0.4711
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0877 0.6746 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0136 0.0477
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0369 0.1367
Brugia malayi ecdysone receptor 0.001 0.0045 0.0275
Brugia malayi nuclear receptor RXR 0.001 0.0045 0.0275
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0045 0.005
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0136 0.1013
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0088 0.0644 0.0633
Echinococcus multilocularis snurportin 1 0.0344 0.2627 0.3884
Brugia malayi nuclear receptor NHR-88 0.001 0.0045 0.0275
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0136 0.0519
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0021 0.0009
Loa Loa (eye worm) hypothetical protein 0.0088 0.0644 0.2418
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0136 0.1518
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0148 0.1107
Trichomonas vaginalis hypothetical protein 0.1298 1 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0148 0.0137
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0136 0.0185
Brugia malayi Nuclear hormone receptor E75 0.001 0.0045 0.0275
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0045 0.0275
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.001 0.0045 0.0173
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0136 0.0519

Activities

Activity type Activity value Assay description Source 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 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 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 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 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 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 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

Bibliographic References

No literature references available for this target.

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