Detailed information for compound 254087

Basic information

Technical information
  • TDR Targets ID: 254087
  • Name: (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-h ydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroeth yl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclope nta[a]phenanthren-3-one
  • MW: 508.52 | Formula: C28H29F5O3
  • H donors: 1 H acceptors: 3 LogP: 4.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1CCC2=C3[C@H](C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@]4(O)C(C(F)(F)F)(F)F)C)c1ccc(cc1)C(=O)C
  • InChi: 1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1
  • InChiKey: VHZPUDNSVGRVMB-RXDLHWJPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (8S,11R,13S,14S,17S)-11-(4-ethanoylphenyl)-17-hydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • ZK 230211
  • Lonaprisan
  • ZK-230211
  • ZK-PRA

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL References
Mus musculus nuclear receptor subfamily 3, group C, member 1 Starlite/ChEMBL References
Homo sapiens progesterone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Schistosoma mansoni coup transcription factor 0.0027 0.0536 0.0536
Loa Loa (eye worm) chloride channel protein 7 0.001 0.0119 0.0319
Schistosoma mansoni chloride channel protein 0.001 0.0119 0.0119
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0013 0.0195 0.0522
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0164 0.3736 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0013 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Loa Loa (eye worm) hypothetical protein 0.001 0.0119 0.0319
Onchocerca volvulus 0.0027 0.0536 0.3601
Schistosoma mansoni hypothetical protein 0.0178 0.4079 0.4079
Onchocerca volvulus Protein ultraspiracle homolog 0.0027 0.0536 0.3601
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0164 0.3736 0.3736
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0356 0.0356
Schistosoma mansoni nuclear receptor 0.0013 0.0195 0.0195
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0356 0.0698
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0027 0.0536 0.0536
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0232 0.062
Echinococcus granulosus H:Cl exchange transporter 3 0.001 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Trypanosoma brucei GMP reductase 0.0164 0.3736 1
Chlamydia trachomatis CBS domain-containing protein 0.001 0.0119 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0027 0.0536 0.1435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0027 0.0536 0.1435
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0067 0.0067
Loa Loa (eye worm) histone methyltransferase 0.0009 0.011 0.0295
Loa Loa (eye worm) hypothetical protein 0.0015 0.0232 0.062
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0164 0.3736 1
Brugia malayi GMP reductase 0.0068 0.1489 0.3985
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Brugia malayi nuclear receptor NHR-67 0.0013 0.0195 0.0522
Echinococcus granulosus geminin 0.0178 0.4079 0.4079
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0108 0.0288
Echinococcus granulosus FTZ F1 alpha 0.0027 0.0536 0.0536
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0536 0.1435
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0086 0.1909 0.4951
Brugia malayi hypothetical protein 0.0015 0.0232 0.062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0013 0.0195 0.0195
Brugia malayi ancient conserved domain protein 4 0.001 0.0119 0.0319
Onchocerca volvulus Bile acid receptor homolog 0.0027 0.0536 0.3601
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0067 0.0067
Echinococcus granulosus ecdysone induced protein 78C 0.0027 0.0536 0.0536
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0027 0.0536 0.1435
Loa Loa (eye worm) hypothetical protein 0.001 0.0119 0.0319
Brugia malayi CXXC zinc finger family protein 0.003 0.0601 0.1608
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0027 0.0536 0.0536
Echinococcus granulosus Nuclear hormone receptor HR96 0.0013 0.0195 0.0195
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0013 0.0195 0.0195
Echinococcus granulosus thyroid hormone receptor alpha 0.0013 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0015 0.0232 0.062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0027 0.0536 0.1435
Loa Loa (eye worm) chloride channel 3 0.001 0.0119 0.0319
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0027 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0536 0.1435
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Trypanosoma cruzi GMP reductase 0.0164 0.3736 1
Schistosoma mansoni zinc finger protein 0.0013 0.0195 0.0195
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0356 0.0952
Schistosoma mansoni cpg binding protein 0.0032 0.0641 0.0641
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.001 0.0119 0.0119
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0356 0.0654
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0536 0.1435
Loa Loa (eye worm) IMP dehydrogenase 1 0.0164 0.3736 1
Schistosoma mansoni ap endonuclease 0.002 0.0356 0.0356
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0027 0.0536 0.0536
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0027 0.0536 0.0536
Toxoplasma gondii exonuclease III APE 0.002 0.0356 0.0654
Echinococcus granulosus H:Cl exchange transporter 7 0.001 0.0119 0.0119
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.001 0.0119 0.0119
Schistosoma mansoni thyroid hormone receptor 0.0027 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.001 0.0119 0.0319
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.001 0.0119 0.0119
Brugia malayi steroid hormone receptor 0.0027 0.0536 0.1435
Brugia malayi orphan nuclear receptor NR2E1 0.0013 0.0195 0.0522
Schistosoma mansoni nuclear hormone receptor 0.0013 0.0195 0.0195
Brugia malayi ancient conserved domain protein 2 0.001 0.0119 0.0319
Loa Loa (eye worm) nuclear hormone receptor 0.0013 0.0195 0.0522
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0013 0.0195 0.0195
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0164 0.3736 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0027 0.0536 0.1435
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.0536 0.0536
Onchocerca volvulus 0.001 0.0119 0.08
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0164 0.3736 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0013 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.0232 0.0232
Loa Loa (eye worm) DR-78 0.0013 0.0195 0.0522
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0013 0.0195 0.0522
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0027 0.0536 0.0536
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0027 0.0536 0.0536
Brugia malayi conserved hypotetical protein 0.0013 0.0195 0.0522
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0027 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0027 0.0536 0.1435
Schistosoma mansoni retinoic acid receptor RXR 0.0027 0.0536 0.0536
Brugia malayi photoreceptor-specific nuclear receptor 0.0027 0.0536 0.1435
Loa Loa (eye worm) loechrig isoform VII 0.001 0.0119 0.0319
Schistosoma mansoni steroid hormone receptor ad4bp 0.0027 0.0536 0.0536
Brugia malayi hypothetical protein 0.0013 0.0195 0.0522
Brugia malayi nuclear receptor NHR-88 0.0013 0.0195 0.0522
Schistosoma mansoni nuclear hormone receptor 0.0013 0.0195 0.0195
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0027 0.0536 0.1435
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0027 0.0536 0.1435
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0068 0.1489 0.3985
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0068 0.1489 0.3985
Loa Loa (eye worm) hypothetical protein 0.0015 0.0232 0.062
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0164 0.3736 0.3736
Loa Loa (eye worm) hypothetical protein 0.0015 0.0232 0.062
Trypanosoma cruzi GMP reductase 0.0164 0.3736 1
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0232 0.062
Toxoplasma gondii IMP dehydrogenas 0.0164 0.3736 1
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0536 0.0536
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0356 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0015 0.0232 0.0232
Brugia malayi loechrig isoform VII 0.001 0.0119 0.0319
Brugia malayi CBS domain containing protein 0.001 0.0119 0.0319
Echinococcus multilocularis FTZ F1 alpha 0.0027 0.0536 0.0536
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0164 0.3736 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0356 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0164 0.3736 1
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.001 0.0119 0.0119
Echinococcus multilocularis cpg binding protein 0.0032 0.0641 0.0641
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0067 0.0067
Echinococcus multilocularis nuclear receptor nhr 48 0.0013 0.0195 0.0195
Echinococcus multilocularis ecdysone induced protein 78C 0.0027 0.0536 0.0536
Loa Loa (eye worm) steroid hormone receptor 0.0027 0.0536 0.1435
Brugia malayi hypothetical protein 0.0015 0.0232 0.062
Onchocerca volvulus 0.003 0.0601 0.4034
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0154 0.3507 1
Brugia malayi ecdysteroid receptor 0.0027 0.0536 0.1435
Schistosoma mansoni ap endonuclease 0.002 0.0356 0.0356
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1396 0.1396
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0013 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0164 0.3736 1
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.001 0.0119 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0027 0.0536 0.1435
Brugia malayi nuclear receptor RXR 0.0015 0.0232 0.062
Brugia malayi Nuclear hormone receptor E75 0.0013 0.0195 0.0522
Schistosoma mansoni hypothetical protein 0.0178 0.4079 0.4079
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0356 0.0654
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0015 0.0232 0.062
Echinococcus multilocularis geminin 0.0178 0.4079 0.4079
Schistosoma mansoni chloride channel protein 0.001 0.0119 0.0119
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.001 0.0119 0.0119
Schistosoma mansoni RAR-like nuclear receptor 0.0027 0.0536 0.0536
Echinococcus multilocularis dnaJ subfamily B 0.043 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0013 0.0195 0.0522
Brugia malayi nuclear receptor NHR-88 0.0027 0.0536 0.1435
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0015 0.0232 0.062
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0164 0.3736 0.3736
Schistosoma mansoni hypothetical protein 0.043 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Loa Loa (eye worm) hypothetical protein 0.001 0.0119 0.0319
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0164 0.3736 1
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.001 0.0119 0.0119
Brugia malayi hypothetical protein 0.0013 0.0195 0.0522
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0356 0.0654
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0013 0.0195 0.0195
Brugia malayi nuclear receptor RXR 0.0013 0.0195 0.0522
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0154 0.3507 0.9369
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Loa Loa (eye worm) GMP reductase 0.0068 0.1489 0.3985
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0013 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0027 0.0536 0.0536
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0027 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0027 0.0536 0.1435
Schistosoma mansoni chloride channel protein 0.001 0.0119 0.0119
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0067 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0536 0.1435
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0015 0.0232 0.0232
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0536 0.1435
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0015 0.0232 0.0232
Brugia malayi Nuclear hormone receptor E75 0.0013 0.0195 0.0522
Brugia malayi tailless protein 0.0013 0.0195 0.0522
Leishmania major guanosine monophosphate reductase 0.0164 0.3736 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0356 0.0952
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0536 0.0536
Schistosoma mansoni cpg binding protein 0.003 0.0601 0.0601
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0536 0.0536
Loa Loa (eye worm) nuclear receptor NHR-67 0.0013 0.0195 0.0522
Brugia malayi ecdysone receptor 0.0013 0.0195 0.0522
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0356 0.0654
Schistosoma mansoni cpg binding protein 0.0032 0.0641 0.0641
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0027 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.1235 0.3087
Echinococcus multilocularis thyroid hormone receptor alpha 0.0027 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0013 0.0195 0.1311
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0356 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0536 0.1435
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0536 0.1435
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0601 0.1608
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0027 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0027 0.0536 0.1435
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0078 0.1717 0.4418
Schistosoma mansoni protein kinase subunit gamma 0.001 0.0119 0.0119
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0027 0.0536 0.3601
Schistosoma mansoni thyroid hormone receptor 0.0027 0.0536 0.0536
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.001 0.0119 0.5
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.001 0.0119 0.0119
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0356 0.0654
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0356 0.0654
Brugia malayi chloride channel protein 7 0.001 0.0119 0.0319
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.001 0.0119 0.0119
Brugia malayi Voltage gated chloride channel family protein 0.001 0.0119 0.0319
Schistosoma mansoni nuclear receptor 0.0013 0.0195 0.0195
Brugia malayi nuclear hormone receptor 0.0013 0.0195 0.0522
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0086 0.1909 0.4951
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0027 0.0536 0.1435
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0356 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.011 0.011
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0154 0.3507 1
Chlamydia trachomatis Mg++ transporter 0.001 0.0119 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0013 0.0195 0.1311
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0013 0.0195 0.0195
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0027 0.0536 0.1435
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0536 0.0536
Echinococcus granulosus cpg binding protein 0.0032 0.0641 0.0641
Onchocerca volvulus 0.0013 0.0195 0.1311
Brugia malayi CLC chloride channel protein 0.001 0.0119 0.0319
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0356 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0027 0.0536 0.1435
Onchocerca volvulus Putative GMP reductase 0.0068 0.1489 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0164 0.3736 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0027 0.0536 0.0536
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0078 0.1717 0.4418
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0027 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0027 0.0536 0.1435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0027 0.0536 0.1435
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.011 0.011
Schistosoma mansoni nuclear receptor nhr-48 0.0013 0.0195 0.0195
Brugia malayi nuclear hormone receptor 0.0027 0.0536 0.1435
Echinococcus granulosus nuclear receptor nhr 48 0.0013 0.0195 0.0195
Brugia malayi nuclear hormone receptor family member nhr-6 0.0013 0.0195 0.0522
Loa Loa (eye worm) hypothetical protein 0.0013 0.0195 0.0522
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0013 0.0195 0.0195
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.001 0.0119 0.0119
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.001 0.0119 0.0119
Echinococcus granulosus H:Cl exchange transporter 4 0.001 0.0119 0.0119
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0356 0.0654
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0536 0.0536
Onchocerca volvulus 0.0013 0.0195 0.1311
Leishmania major inosine-5-monophosphate dehydrogenase 0.0164 0.3736 1

Activities

Activity type Activity value Assay description Source Reference
Abortion (functional) = 0 % Full abortifacient effect at 0.03 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 0 % Incomplete abortifacient effect at 0.03 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 0 % Incomplete abortifacient effect at 0.3 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 0 % Full abortifacient effect at 0.03 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 0 % Incomplete abortifacient effect at 0.03 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 0 % Incomplete abortifacient effect at 0.3 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 17 % Incomplete abortifacient effect at 0.1 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 17 % Incomplete abortifacient effect at 0.1 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 83 % Full abortifacient effect at 0.1 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 83 % Full abortifacient effect at 0.1 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 100 % Full abortifacient effect at 0.3 mg/animal/day in pregnant rats ChEMBL. 11150172
Abortion (functional) = 100 % Full abortifacient effect at 0.3 mg/animal/day in pregnant rats ChEMBL. 11150172
ED50 mg/animal/day (functional) = 1.3 Antiandrogenic activity in orchidectomized young male rats after oral administration ChEMBL. 11150172
ED50 mg/animal/day (functional) = 2 Antiglucocorticoid activity in adrenalectomized young male rats after oral administration ChEMBL. 11150172
Efficacy (functional) = % In vitro agonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor ChEMBL. 11150172
Efficacy (functional) = % In vitro agonist potency in transactivation assay of MVLN cells expressing estrogen receptor ChEMBL. 11150172
Efficacy (functional) = 0 % In vitro agonist potency in transactivation assay of neuroblastoma cells expressing human PR-A progesterone receptor ChEMBL. 11150172
Efficacy (functional) = 0 % In vitro agonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor ChEMBL. 11150172
Efficacy (functional) = 0 % In vitro agonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor ChEMBL. 11150172
Efficacy (functional) = 0 % In vitro agonist potency in transactivation assay of MVLN cells expressing estrogen receptor ChEMBL. 11150172
Efficacy (functional) = 4 % In vitro agonist potency in transactivation assay of CV-1 cells stably transfected with human androgen receptor ChEMBL. 11150172
Efficacy (functional) = 4 % In vitro agonist potency in transactivation assay of CV-1 cells stably transfected with human androgen receptor ChEMBL. 11150172
IC50 (functional) = nM In vitro antagonist potency in transactivation assay in MVLN cells expressing estrogen receptor ChEMBL. 11150172
IC50 (functional) = 0 nM In vitro antagonist potency in transactivation assay in MVLN cells expressing estrogen receptor ChEMBL. 11150172
IC50 (functional) = 0.0025 nM In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor ChEMBL. 11150172
IC50 (functional) = 0.0025 nM In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-B progesterone receptor ChEMBL. 11150172
IC50 (functional) = 0.0036 nM In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor ChEMBL. 11150172
IC50 (functional) = 0.0036 nM In vitro antagonist potency in transactivation assay in neuroblastoma cells expressing human PR-A progesterone receptor ChEMBL. 11150172
IC50 (functional) = 16 nM In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor ChEMBL. 11150172
IC50 (functional) = 16 nM In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor ChEMBL. 11150172
IC50 (functional) = 54 nM In vitro antagonist potency in transactivation assay in CV-1 cells expressing androgen receptor ChEMBL. 11150172
IC50 (functional) = 54 nM In vitro antagonist potency in transactivation assay in CV-1 cells expressing androgen receptor ChEMBL. 11150172
RBA (binding) = % Relative binding affinity against Estrogen receptor of rat after 2 hr incubation as percent binding compared to estradiol ChEMBL. 11150172
RBA (binding) = 0 % Relative binding affinity against Estrogen receptor of rat after 2 hr incubation as percent binding compared to estradiol ChEMBL. 11150172
RBA (binding) = 3.1 % Relative binding affinity against androgen (AR) receptor of rat after 24 hr incubation as percent binding compared to R1881 ChEMBL. 11150172
RBA (binding) = 3.1 % Relative binding affinity against androgen (AR) receptor of rat after 24 hr incubation as percent binding compared to R1881 ChEMBL. 11150172
RBA (binding) = 22.2 % Relative binding affinity against Glucocorticoid receptor of rat after 2 hr incubation as percent binding compared to dexamethasone ChEMBL. 11150172
RBA (binding) = 22.2 % Relative binding affinity against Glucocorticoid receptor of rat after 2 hr incubation as percent binding compared to dexamethasone ChEMBL. 11150172
RBA (binding) = 140 % Relative binding affinity against rabbit progesterone (PR) receptor after 24 hr incubation as perent binding compared to progesterone ChEMBL. 11150172

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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