Detailed information for compound 442721

Basic information

Technical information
  • TDR Targets ID: 442721
  • Name: tert-butyl 2-[4-(3-amino-3-oxopropyl)phenyl]i ndole-1-carboxylate
  • MW: 364.438 | Formula: C22H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.04 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CCc1ccc(cc1)c1cc2c(n1C(=O)OC(C)(C)C)cccc2
  • InChi: 1S/C22H24N2O3/c1-22(2,3)27-21(26)24-18-7-5-4-6-17(18)14-19(24)16-11-8-15(9-12-16)10-13-20(23)25/h4-9,11-12,14H,10,13H2,1-3H3,(H2,23,25)
  • InChiKey: UGGWFWBEVUZUOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • tert-butyl 2-[4-(3-amino-3-oxo-propyl)phenyl]indole-1-carboxylate
  • 2-[4-(3-amino-3-oxopropyl)phenyl]-1-indolecarboxylic acid tert-butyl ester
  • tert-butyl 2-[4-(3-azanyl-3-oxo-propyl)phenyl]indole-1-carboxylate
  • 2-[4-(3-amino-3-keto-propyl)phenyl]indole-1-carboxylic acid tert-butyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 1, group H, member 3 Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 1, group H, member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi ecdysteroid receptor Get druggable targets OG5_134445 All targets in OG5_134445
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
Onchocerca volvulus Bile acid receptor homolog Get druggable targets OG5_134445 All targets in OG5_134445
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor nuclear receptor subfamily 1, group H, member 3 387 aa 321 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni steroid hormone receptor ad4bp 0.0226 0.1105 0.1105
Loa Loa (eye worm) fibroinase 0.0016 0.004 0.0057
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Onchocerca volvulus 0.0102 0.0475 0.0621
Onchocerca volvulus 0.0102 0.0475 0.0621
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0226 0.1105 0.1105
Onchocerca volvulus Cathepsin L homolog 0.0016 0.004 0.0037
Entamoeba histolytica cysteine protease, putative 0.0016 0.004 0.1415
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0285 0.0304
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0226 0.1105 0.1105
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0274 0.9614
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.004 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0226 0.1105 0.1618
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.004 0.1415
Schistosoma mansoni nuclear hormone receptor 0.0102 0.0475 0.0475
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0102 0.0475 0.0475
Brugia malayi Nuclear hormone receptor E75 0.0102 0.0475 0.0696
Brugia malayi conserved hypotetical protein 0.0102 0.0475 0.0696
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0147 0.0157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0124 0.0587 0.0857
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0226 0.1105 0.1618
Loa Loa (eye worm) hypothetical protein 0.0124 0.0587 0.0857
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0226 0.1105 0.1616
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0285 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0102 0.0475 0.0475
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0226 0.1105 0.1105
Echinococcus granulosus dnaJ subfamily B 0.0399 0.1987 0.1987
Leishmania major cathepsin L-like protease 0.0062 0.0274 0.955
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0013 0.3182
Echinococcus granulosus ecdysone induced protein 78C 0.0226 0.1105 0.1105
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Schistosoma mansoni nuclear receptor 0.0102 0.0475 0.0475
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0226 0.1105 0.1105
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.004 0.0057
Echinococcus multilocularis cysteine protease 0.0016 0.004 0.0043
Onchocerca volvulus 0.0028 0.01 0.0117
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1131 0.1207
Loa Loa (eye worm) nuclear receptor nhr-7B 0.1351 0.6828 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0285 1
Echinococcus granulosus cpg binding protein 0.003 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0411 0.2046 0.2996
Schistosoma mansoni thyroid hormone receptor 0.0226 0.1105 0.1105
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0226 0.1105 0.1618
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0206 0.7234
Schistosoma mansoni survival motor neuron protein 0.0047 0.0197 0.0197
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.004 0.004
Brugia malayi Cathepsin L-like precursor 0.0016 0.004 0.0059
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.004 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.004 0.0043
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0226 0.1105 0.1105
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0226 0.1105 0.1618
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0102 0.0475 0.0475
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0147 0.0147
Brugia malayi Steroid receptor seven-up type 2 0.0226 0.1105 0.1618
Schistosoma mansoni thyroid hormone receptor 0.0226 0.1105 0.1105
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Loa Loa (eye worm) hypothetical protein 0.0226 0.1105 0.1616
Loa Loa (eye worm) hypothetical protein 0.0226 0.1105 0.1616
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0226 0.1105 0.1618
Echinococcus granulosus cathepsin l1 0.0011 0.0013 0.0013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Onchocerca volvulus 0.0016 0.004 0.0037
Brugia malayi nuclear receptor RXR 0.0124 0.0587 0.0859
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0102 0.0475 0.0696
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Schistosoma mansoni nuclear receptor nhr-48 0.0102 0.0475 0.0475
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0017
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0274 0.9614
Brugia malayi CXXC zinc finger family protein 0.0028 0.01 0.0146
Brugia malayi ecdysone receptor 0.0102 0.0475 0.0696
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0102 0.0475 0.0475
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0124 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0432 0.2156 0.3156
Onchocerca volvulus 0.0432 0.2156 0.2878
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0226 0.1105 0.1105
Brugia malayi Cathepsin L-like precursor 0.0016 0.004 0.0059
Brugia malayi Cathepsin L-like precursor 0.0016 0.004 0.0059
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.004 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Schistosoma mansoni coup transcription factor 0.0226 0.1105 0.1105
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0226 0.1105 0.1618
Echinococcus granulosus cathepsin l1 0.0016 0.004 0.004
Brugia malayi hypothetical protein 0.0124 0.0587 0.0859
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0226 0.1105 0.1618
Loa Loa (eye worm) hypothetical protein 0.0226 0.1105 0.1616
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0226 0.1105 0.1616
Schistosoma mansoni cpg binding protein 0.003 0.0108 0.0108
Onchocerca volvulus Bile acid receptor homolog 0.0411 0.2046 0.2732
Brugia malayi nuclear hormone receptor family member nhr-6 0.0102 0.0475 0.0696
Echinococcus granulosus nuclear receptor nhr 48 0.0102 0.0475 0.0475
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0226 0.1105 0.1616
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.004 0.0043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Brugia malayi nuclear receptor NHR-88 0.0102 0.0475 0.0696
Onchocerca volvulus 0.0016 0.004 0.0037
Schistosoma mansoni nuclear hormone receptor 0.0226 0.1105 0.1105
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Onchocerca volvulus 0.0226 0.1105 0.1467
Brugia malayi hypothetical protein 0.0231 0.1131 0.1656
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Echinococcus multilocularis Protein lozenge 0.0054 0.0233 0.0249
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.01 0.0144
Schistosoma mansoni nuclear hormone receptor 0.0102 0.0475 0.0475
Echinococcus granulosus FTZ F1 alpha 0.0226 0.1105 0.1105
Echinococcus multilocularis ecdysone induced protein 78C 0.0226 0.1105 0.1179
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.004 0.0043
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0124 0.0587 0.0587
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1851 0.9371 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.1105 0.1616
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1131 0.1131
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0102 0.0475 0.0694
Schistosoma mansoni cpg binding protein 0.0028 0.01 0.01
Schistosoma mansoni retinoic acid receptor RXR 0.1975 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Brugia malayi hypothetical protein 0.0102 0.0475 0.0696
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0001 0.0001
Echinococcus granulosus thyroid hormone receptor alpha 0.0102 0.0475 0.0475
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0102 0.0475 0.0507
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0246 0.8649
Brugia malayi cathepsin L-like precursor 0.0011 0.0013 0.0019
Plasmodium vivax vivapain-2 0.0016 0.004 1
Loa Loa (eye worm) ctsf protein 0.0016 0.004 0.0057
Schistosoma mansoni hypothetical protein 0.0047 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0231 0.1131 0.1655
Loa Loa (eye worm) hypothetical protein 0.0226 0.1105 0.1616
Echinococcus granulosus Nuclear hormone receptor HR96 0.0102 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Loa Loa (eye worm) nuclear hormone receptor 0.0102 0.0475 0.0694
Loa Loa (eye worm) hypothetical protein 0.0226 0.1105 0.1616
Echinococcus multilocularis FTZ F1 alpha 0.0226 0.1105 0.1179
Echinococcus granulosus Nuclear hormone receptor HR96 0.0102 0.0475 0.0475
Leishmania major cathepsin L-like protease 0.0062 0.0274 0.955
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0102 0.0475 0.0621
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0226 0.1105 0.1616
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.004 0.0059
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.026 0.026
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0226 0.1105 0.1618
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Onchocerca volvulus 0.0016 0.004 0.0037
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.004 0.1415
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1475 0.7457 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0102 0.0475 0.0507
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0226 0.1105 0.1179
Leishmania major cathepsin L-like protease 0.0062 0.0274 0.955
Brugia malayi Nuclear hormone receptor-like 1 0.0124 0.0587 0.0859
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0001 0.0001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0285 1
Schistosoma mansoni lozenge 0.0054 0.0233 0.0233
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Loa Loa (eye worm) DR-78 0.0102 0.0475 0.0694
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0226 0.1105 0.1179
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.004 0.0057
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0226 0.1105 0.1105
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0226 0.1105 0.1618
Brugia malayi follicle stimulating hormone receptor 0.0226 0.1107 0.1621
Brugia malayi Cathepsin L-like precursor 0.0011 0.0013 0.0019
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0102 0.0475 0.0507
Brugia malayi Cathepsin L-like precursor 0.0011 0.0013 0.0019
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0226 0.1105 0.1179
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Echinococcus multilocularis cysteine protease 0.0016 0.004 0.0043
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0226 0.1105 0.1618
Brugia malayi steroid hormone receptor 0.0226 0.1105 0.1618
Echinococcus multilocularis nuclear receptor nhr 48 0.0102 0.0475 0.0507
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0285 1
Schistosoma mansoni zinc finger protein 0.0102 0.0475 0.0475
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.004 0.004
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0124 0.0587 0.0857
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0102 0.0475 0.0621
Loa Loa (eye worm) hypothetical protein 0.0124 0.0587 0.0857
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0226 0.1105 0.1105
Echinococcus multilocularis cpg binding protein 0.003 0.0108 0.0115
Plasmodium vivax vivapain-2 0.0016 0.004 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0226 0.1105 0.1618
Loa Loa (eye worm) hypothetical protein 0.1249 0.631 0.9241
Onchocerca volvulus 0.0047 0.0197 0.0247
Brugia malayi tailless protein 0.0102 0.0475 0.0696
Loa Loa (eye worm) runx1 0.0054 0.0233 0.0339
Schistosoma mansoni hypothetical protein 0.0399 0.1987 0.1987
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0226 0.1105 0.1618
Brugia malayi ecdysteroid receptor 0.0411 0.2046 0.2997
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0285 0.0417
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0197 0.0288
Echinococcus multilocularis thyroid hormone receptor alpha 0.0226 0.1105 0.1179
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0285 0.0285
Loa Loa (eye worm) steroid hormone receptor 0.0226 0.1105 0.1616
Onchocerca volvulus 0.0016 0.004 0.0037
Schistosoma mansoni cpg binding protein 0.003 0.0108 0.0108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0226 0.1105 0.1179
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0124 0.0587 0.0587
Brugia malayi nuclear hormone receptor family member odr-7 0.0102 0.0475 0.0696
Brugia malayi Nuclear hormone receptor-like 1 0.0226 0.1105 0.1618
Onchocerca volvulus 0.0016 0.004 0.0037
Brugia malayi Nuclear hormone receptor-like 1 0.0124 0.0587 0.0859
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.004 1
Brugia malayi hypothetical protein 0.0102 0.0475 0.0696
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0226 0.1105 0.1105
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0226 0.1105 0.1618
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0013 0.0017
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0285 0.0415
Onchocerca volvulus Protein ultraspiracle homolog 0.0226 0.1105 0.1467
Schistosoma mansoni nuclear receptor 0.0102 0.0475 0.0475
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Loa Loa (eye worm) cysteine protease 0.0016 0.004 0.0057
Loa Loa (eye worm) hypothetical protein 0.0226 0.1105 0.1616
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.0013 0.0019
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0102 0.0475 0.0507
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0226 0.1105 0.1616
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.004 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0124 0.0587 0.0626
Brugia malayi Cathepsin L-like precursor 0.0016 0.004 0.0059
Brugia malayi nuclear hormone receptor 0.1351 0.6828 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0226 0.1105 0.1105
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0226 0.1105 0.1179
Loa Loa (eye worm) hypothetical protein 0.0124 0.0587 0.0857
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.004 0.004
Brugia malayi Cathepsin L-like precursor 0.0016 0.004 0.0059
Brugia malayi nuclear receptor NHR-88 0.0226 0.1105 0.1618
Brugia malayi nuclear hormone receptor 0.0226 0.1105 0.1618
Loa Loa (eye worm) hypothetical protein 0.0432 0.2156 0.3156
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0274 0.9614
Onchocerca volvulus 0.0016 0.004 0.0037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0226 0.1105 0.1179
Brugia malayi nuclear receptor NHR-67 0.0102 0.0475 0.0696
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.004 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.1107 0.1619
Onchocerca volvulus Cathepsin F homolog 0.0016 0.004 0.0037
Loa Loa (eye worm) hypothetical protein 0.0016 0.004 0.0057
Loa Loa (eye worm) hypothetical protein 0.0102 0.0475 0.0694
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0226 0.1105 0.1105
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0226 0.1105 0.1105
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.004 0.0043
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.004 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0226 0.1105 0.1618
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0285 0.0285
Brugia malayi hypothetical protein 0.0124 0.0587 0.0859
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.0013 0.3182
Onchocerca volvulus Cathepsin L homolog 0.0016 0.004 0.0037
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0274 0.9614
Brugia malayi Nuclear hormone receptor E75 0.0102 0.0475 0.0696
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0274 0.9614
Loa Loa (eye worm) hypothetical protein 0.0124 0.0587 0.0857
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.1987 0.2121
Brugia malayi Cathepsin L-like precursor 0.0016 0.004 0.0059
Brugia malayi nuclear receptor RXR 0.0102 0.0475 0.0696
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0285 1
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.0013 0.045
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0226 0.1105 0.1616
Brugia malayi orphan nuclear receptor NR2E1 0.0102 0.0475 0.0696
Onchocerca volvulus 0.0016 0.004 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0226 0.1105 0.1616
Brugia malayi hypothetical protein 0.0432 0.2156 0.3157
Schistosoma mansoni RAR-like nuclear receptor 0.0226 0.1105 0.1105
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.004 0.1415

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 70 % Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay relative to GW3965 ChEMBL. 17587573
EC50 (functional) = 70 % Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay relative to GW3965 ChEMBL. 17587573
EC50 (functional) = 0.057 uM Agonist activity at human LXRbeta receptor after 1 hr by HTRF cofactor recruitment assay ChEMBL. 17587573
EC50 (functional) = 0.057 uM Agonist activity at human LXRbeta receptor after 1 hr by HTRF cofactor recruitment assay ChEMBL. 17587573
EC50 (functional) = 0.285 uM Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay ChEMBL. 17587573
EC50 (functional) = 0.285 uM Agonist activity at human LXRbeta receptor transfected in COS7 cells after 16 hrs by reporter transactivation assay ChEMBL. 17587573
EC50 (functional) = 1.11 uM Agonist activity at human LXRalpha receptor after 1 hr by HTRF cofactor recruitment assay ChEMBL. 17587573
EC50 (functional) = 1.11 uM Agonist activity at human LXRalpha receptor after 1 hr by HTRF cofactor recruitment assay ChEMBL. 17587573
EC50 (functional) = 2.4 uM Induction of cholesterol efflux in THP1 cells ChEMBL. 17587573
EC50 (functional) = 2.4 uM Induction of cholesterol efflux in THP1 cells ChEMBL. 17587573
Ratio (functional) = 1.9 Induction of cholesterol efflux in THP1 cells at 10 uM relative to control ChEMBL. 17587573
Ratio (functional) = 2.7 Induction of Lipogenesis in HepG2 cells at 10 uM relative to control ChEMBL. 17587573
Ratio (functional) = 4 Induction of SREBP1c gene expression in HepG2 cells at 10 uM relative to control ChEMBL. 17587573
Ratio (functional) = 5.7 Induction of ABCA1 gene expression in THP1 cells at 10 uM relative to control ChEMBL. 17587573

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17587573

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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