Detailed information for compound 331806

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.589 | Formula: C27H38O2
  • H donors: 0 H acceptors: 1 LogP: 6.18 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@]1(CC[C@]2(C(C1)CCC1C2CC[C@@]2(C1CCC2=O)C)C)Cc1ccccc1
  • InChi: 1S/C27H38O2/c1-25-15-16-27(29-3,17-19-7-5-4-6-8-19)18-20(25)9-10-21-22-11-12-24(28)26(22,2)14-13-23(21)25/h4-8,20-23H,9-18H2,1-3H3/t20?,21?,22?,23?,25-,26-,27-/m0/s1
  • InChiKey: ZGCFPQOIBUKGPL-JQZLIOQGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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-41 0.0355 0.0889 0.2114
Echinococcus granulosus ecdysone induced protein 78C 0.0355 0.0889 0.0889
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0168 0.0408 0.0429
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0355 0.0889 0.2114
Schistosoma mansoni nuclear hormone receptor 0.0168 0.0408 0.0408
Schistosoma mansoni cpg binding protein 0.0035 0.0069 0.0069
Echinococcus granulosus dnaJ subfamily B 0.0474 0.1194 0.1194
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.0029 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0029 0.0058
Brugia malayi nuclear hormone receptor family member nhr-6 0.0168 0.0408 0.0965
Brugia malayi Cathepsin L-like precursor 0.0019 0.0029 0.0058
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0355 0.0889 0.0934
Echinococcus granulosus cathepsin l1 0.0019 0.0029 0.0029
Loa Loa (eye worm) steroid hormone receptor 0.0355 0.0889 0.2112
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Brugia malayi nuclear hormone receptor 0.0355 0.0889 0.2114
Schistosoma mansoni cpg binding protein 0.0033 0.0064 0.0064
Schistosoma mansoni nuclear receptor 0.0168 0.0408 0.0408
Loa Loa (eye worm) runx1 0.0064 0.0144 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0355 0.0889 0.2112
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.3721 0.9519 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0029 0.003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0355 0.0889 0.0934
Onchocerca volvulus 0.0019 0.0029 0.0035
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0188 0.046 0.046
Leishmania major cathepsin L-like protease 0.0074 0.0168 0.955
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0355 0.0889 0.2114
Schistosoma mansoni RAR-like nuclear receptor 0.0355 0.0889 0.0889
Brugia malayi nuclear receptor NHR-88 0.0355 0.0889 0.2114
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0004 0.0004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0168 0.0408 0.0429
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0029 0.1415
Onchocerca volvulus 0.0168 0.0408 0.085
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0269 0.0667 0.1582
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0016
Loa Loa (eye worm) nuclear hormone receptor 0.0168 0.0408 0.0963
Brugia malayi Cathepsin L-like precursor 0.0019 0.0029 0.0058
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Onchocerca volvulus 0.0019 0.0029 0.0035
Loa Loa (eye worm) hypothetical protein 0.0188 0.046 0.1086
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0168 0.0408 0.0408
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0005 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0141 1
Schistosoma mansoni cathepsin F (C01 family) 0.0013 0.0012 0.0012
Schistosoma mansoni nuclear receptor 0.0168 0.0408 0.0408
Brugia malayi nuclear receptor NHR-88 0.0168 0.0408 0.0965
Brugia malayi nuclear receptor RXR 0.0168 0.0408 0.0965
Brugia malayi hypothetical protein 0.0513 0.1295 0.3084
Loa Loa (eye worm) hypothetical protein 0.0188 0.046 0.1086
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0064 0.0141
Brugia malayi Cathepsin L-like precursor 0.0019 0.0029 0.0058
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0355 0.0889 0.2112
Onchocerca volvulus 0.0513 0.1295 0.2754
Loa Loa (eye worm) hypothetical protein 0.0019 0.0029 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0355 0.0889 0.2114
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0355 0.0889 0.0889
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0355 0.0889 0.0934
Brugia malayi Nuclear hormone receptor-like 1 0.0188 0.046 0.1088
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0029 0.0035
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Echinococcus granulosus FTZ F1 alpha 0.0355 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0029 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0077 0.0175 0.0184
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0355 0.0889 0.0889
Brugia malayi Cathepsin L-like cysteine proteinase 0.0013 0.0012 0.0018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0012 0.3182
Brugia malayi Cathepsin L-like precursor 0.0019 0.0029 0.0058
Onchocerca volvulus Bile acid receptor homolog 0.0355 0.0889 0.1882
Brugia malayi nuclear hormone receptor family member odr-7 0.0168 0.0408 0.0965
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0168 0.0408 0.0429
Brugia malayi CXXC zinc finger family protein 0.0033 0.0064 0.0143
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0077 0.0175 1
Schistosoma mansoni cpg binding protein 0.0035 0.0069 0.0069
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0355 0.0889 0.0889
Echinococcus multilocularis dnaJ subfamily B 0.0474 0.1194 0.1255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0355 0.0889 0.2112
Brugia malayi nuclear hormone receptor 0.1643 0.419 1
Echinococcus multilocularis cysteine protease 0.0019 0.0029 0.003
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.0128 0.7234
Schistosoma mansoni hypothetical protein 0.0056 0.0122 0.0122
Schistosoma mansoni nuclear hormone receptor 0.0355 0.0889 0.0889
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0029 0.0056
Leishmania major cathepsin L-like protease 0.0074 0.0168 0.955
Brugia malayi conserved hypotetical protein 0.0168 0.0408 0.0965
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0355 0.0889 0.0889
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0029 0.003
Brugia malayi follicle stimulating hormone receptor 0.0269 0.0667 0.1583
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0029 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0355 0.0889 0.2114
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0092 0.0097
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0168 0.0408 0.0408
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0168 0.0408 0.0429
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0355 0.0889 0.0889
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0029 0.003
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Loa Loa (eye worm) ctsf protein 0.0019 0.0029 0.0056
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0355 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Brugia malayi Cathepsin L-like precursor 0.0019 0.0029 0.0058
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Schistosoma mansoni thyroid hormone receptor 0.0355 0.0889 0.0889
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0077 0.0175 0.0175
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.0029 1
Schistosoma mansoni nuclear receptor nhr-48 0.0168 0.0408 0.0408
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Brugia malayi hypothetical protein 0.0168 0.0408 0.0965
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0355 0.0889 0.0934
Loa Loa (eye worm) fibroinase 0.0019 0.0029 0.0056
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Onchocerca volvulus 0.0168 0.0408 0.085
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0168 0.0408 0.0408
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0092 0.0092
Brugia malayi hypothetical protein 0.0188 0.046 0.1088
Echinococcus multilocularis thyroid hormone receptor alpha 0.0355 0.0889 0.0934
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.046 0.1086
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.0029 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0355 0.0889 0.2114
Loa Loa (eye worm) hypothetical protein 0.0513 0.1295 0.3083
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0355 0.0889 0.0934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0029 0.0029
Echinococcus multilocularis survival motor neuron protein 1 0.0274 0.0682 0.0716
Brugia malayi Nuclear hormone receptor E75 0.0168 0.0408 0.0965
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Onchocerca volvulus 0.0019 0.0029 0.0035
Onchocerca volvulus 0.0019 0.0029 0.0035
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Plasmodium vivax vivapain-2 0.0019 0.0029 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0175 1
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Plasmodium vivax vivapain-2 0.0019 0.0029 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0029 0.0058
Leishmania major cathepsin L-like protease 0.0074 0.0168 0.955
Entamoeba histolytica cysteine proteinase, putative 0.0013 0.0012 0.045
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0188 0.046 0.046
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Brugia malayi nuclear receptor NHR-67 0.0168 0.0408 0.0965
Brugia malayi Nuclear hormone receptor E75 0.0168 0.0408 0.0965
Brugia malayi hypothetical protein 0.0188 0.046 0.1088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0355 0.0889 0.2114
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0029 0.0035
Brugia malayi Cathepsin L-like precursor 0.0013 0.0012 0.0018
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0175 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0168 0.0408 0.0408
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0355 0.0889 0.0889
Schistosoma mansoni thyroid hormone receptor 0.0355 0.0889 0.0889
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0513 0.1295 0.3083
Brugia malayi Steroid receptor seven-up type 2 0.0355 0.0889 0.2114
Loa Loa (eye worm) hypothetical protein 0.0274 0.0682 0.1616
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0188 0.046 0.046
Schistosoma mansoni zinc finger protein 0.0168 0.0408 0.0408
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0029 0.1415
Echinococcus granulosus cpg binding protein 0.0035 0.0069 0.0069
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0019 0.0029 1
Schistosoma mansoni nuclear hormone receptor 0.0168 0.0408 0.0408
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0355 0.0889 0.0889
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0029 0.003
Schistosoma mansoni coup transcription factor 0.0355 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.0188 0.046 0.1086
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.0004 0.0004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0016
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0077 0.0175 0.0406
Trypanosoma cruzi cruzipain precursor, putative 0.0074 0.0168 0.9614
Echinococcus multilocularis ecdysone induced protein 78C 0.0355 0.0889 0.0934
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0355 0.0889 0.2114
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0168 0.0408 0.0965
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0355 0.0889 0.2112
Echinococcus multilocularis nuclear receptor nhr 48 0.0168 0.0408 0.0429
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0355 0.0889 0.0889
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0012 0.3182
Loa Loa (eye worm) hypothetical protein 0.0188 0.046 0.1086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.1643 0.419 1
Onchocerca volvulus 0.0019 0.0029 0.0035
Echinococcus granulosus survival motor neuron protein 1 0.0274 0.0682 0.0682
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0355 0.0889 0.0889
Loa Loa (eye worm) cysteine protease 0.0019 0.0029 0.0056
Brugia malayi Nuclear hormone receptor-like 1 0.0188 0.046 0.1088
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0188 0.046 0.1086
Echinococcus granulosus thyroid hormone receptor alpha 0.0168 0.0408 0.0408
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0168 0.9614
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.183 0.4671 1
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0168 0.9614
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Brugia malayi ecdysteroid receptor 0.0355 0.0889 0.2114
Schistosoma mansoni lozenge 0.0064 0.0144 0.0144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Echinococcus multilocularis cathepsin L 0.001 0.0004 0.0005
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0077 0.0175 0.0175
Brugia malayi hypothetical protein 0.0274 0.0682 0.1618
Loa Loa (eye worm) hypothetical protein 0.0355 0.0889 0.2112
Brugia malayi photoreceptor-specific nuclear receptor 0.0355 0.0889 0.2114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Brugia malayi cathepsin L-like precursor 0.0013 0.0012 0.0018
Loa Loa (eye worm) DR-78 0.0168 0.0408 0.0963
Echinococcus granulosus Nuclear hormone receptor HR96 0.0168 0.0408 0.0408
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0355 0.0889 0.2114
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0168 0.0408 0.0963
Onchocerca volvulus 0.0019 0.0029 0.0035
Schistosoma mansoni steroid hormone receptor ad4bp 0.0355 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0355 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0016
Onchocerca volvulus Protein ultraspiracle homolog 0.0355 0.0889 0.1882
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0029 0.0029
Brugia malayi ecdysone receptor 0.0168 0.0408 0.0965
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0077 0.0175 0.0407
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0188 0.046 0.0483
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0168 0.0408 0.085
Brugia malayi nuclear receptor RXR 0.0188 0.046 0.1088
Brugia malayi Cathepsin L-like precursor 0.0013 0.0012 0.0018
Echinococcus multilocularis Protein lozenge 0.0064 0.0144 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0355 0.0889 0.2114
Echinococcus multilocularis cpg binding protein 0.0035 0.0069 0.0073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0355 0.0889 0.2112
Brugia malayi hypothetical protein 0.0168 0.0408 0.0965
Schistosoma mansoni survival motor neuron protein 0.0056 0.0122 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0355 0.0889 0.2114
Trypanosoma cruzi cysteine peptidase, putative 0.0019 0.0029 0.1415
Loa Loa (eye worm) hypothetical protein 0.1475 0.3761 0.8974
Onchocerca volvulus 0.0019 0.0029 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0355 0.0889 0.2112
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0077 0.0175 1
Schistosoma mansoni hypothetical protein 0.0474 0.1194 0.1194
Brugia malayi Nuclear hormone receptor-like 1 0.0355 0.0889 0.2114
Onchocerca volvulus 0.0355 0.0889 0.1882
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0122 0.0281
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0077 0.0175 1
Schistosoma mansoni retinoic acid receptor RXR 0.3909 1 1
Onchocerca volvulus 0.0033 0.0064 0.0112
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Entamoeba histolytica cysteine protease, putative 0.0019 0.0029 0.1415
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0355 0.0889 0.2112
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Echinococcus granulosus cathepsin L 0.001 0.0004 0.0004
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.0152 0.8649
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0029 0.0029
Echinococcus granulosus cysteine protease 0.001 0.0004 0.0004
Brugia malayi tailless protein 0.0168 0.0408 0.0965
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0029 0.0035
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Echinococcus granulosus cathepsin l1 0.0013 0.0012 0.0012
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0168 0.0408 0.0408
Brugia malayi steroid hormone receptor 0.0355 0.0889 0.2114
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Loa Loa (eye worm) hypothetical protein 0.0168 0.0408 0.0963
Onchocerca volvulus 0.0056 0.0122 0.0236
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0355 0.0889 0.2114
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0005 0.0001
Brugia malayi orphan nuclear receptor NR2E1 0.0168 0.0408 0.0965
Echinococcus multilocularis FTZ F1 alpha 0.0355 0.0889 0.0934
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0355 0.0889 0.0934
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.0004 0.0004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0029 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0168 0.0408 0.085
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0168 0.9614
Echinococcus granulosus nuclear receptor nhr 48 0.0168 0.0408 0.0408
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0355 0.0889 0.0889
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0029 0.0056
Echinococcus multilocularis cysteine protease 0.0019 0.0029 0.003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0355 0.0889 0.2114
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0019 0.0029 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.016 0.016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0168 0.9614

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 154 nM Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK-293 cells at 37 degree C pH7.4 ChEMBL. 16078844
Inhibition (binding) = 91 % Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK-293 cells at 0.3 uM 37 degree C pH 7.4 ChEMBL. 16078844
Inhibition (binding) = 93 % Inhibition of type-3 17 beta-hydroxysteroid dehydrogenase expressed in HEK-293 cells at 3 uM 37 degree C pH 7.4 ChEMBL. 16078844

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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