Detailed information for compound 1063467

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.359 | Formula: C19H18F3N3O4
  • H donors: 0 H acceptors: 3 LogP: 1.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CON1C[C@]2(C)O[C@@](C1)(C)[C@@H]1[C@H]2C(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)C#N
  • InChi: 1S/C19H18F3N3O4/c1-17-8-24(28-3)9-18(2,29-17)14-13(17)15(26)25(16(14)27)11-5-4-10(7-23)12(6-11)19(20,21)22/h4-6,13-14H,8-9H2,1-3H3/t13-,14+,17-,18+
  • InChiKey: ZODCAZDWBFXRMT-MHGIMSBQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen 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 0.0049 0.1197 0.1194
Onchocerca volvulus 0.0049 0.1172 0.0684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0876
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0404 0.0283
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0404 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.0799 0.1213
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0656 0.0725
Schistosoma mansoni nuclear hormone receptor 0.004 0.0799 0.1213
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0404 0.0283
Brugia malayi Steroid receptor seven-up type 2 0.004 0.0799 0.0796
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.3892 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0656 0.0653
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 0.0799 0.0864
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0656 0.0709
Schistosoma mansoni alpha-glucosidase 0.0141 0.5101 0.7772
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0404 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.0799 0.1213
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0113 0.3892 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0404 0.4748
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0989 0.0986
Brugia malayi ecdysteroid receptor 0.004 0.0799 0.0796
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.5701 0.5699
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0404 0.0283
Entamoeba histolytica hypothetical protein 0.0036 0.0629 0.0647
Onchocerca volvulus Glucosylceramidase homolog 0.0169 0.6256 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0404 0.0283
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0989 0.0986
Schistosoma mansoni coup transcription factor 0.004 0.0799 0.1213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0605 0.0487
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.3892 0.389
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0223 0.01
Schistosoma mansoni hypothetical protein 0.0049 0.1197 0.182
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0175 0.045
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.0799 0.0864
Entamoeba histolytica hypothetical protein 0.0036 0.0629 0.0647
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0656 0.0725
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.607 0.6589
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0656 0.1295
Trichomonas vaginalis glucosylceramidase, putative 0.0257 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6256 0.6209
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0656 0.0539
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.6641 0.6598
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.4448 0.4827
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.0799 0.1213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0605 0.0487
Leishmania major ATP-dependent phosphofructokinase 0.0113 0.3892 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.4448 0.4827
Schistosoma mansoni hypothetical protein 0.0176 0.6563 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0799 0.0796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0876
Loa Loa (eye worm) phosphofructokinase 0.0113 0.3892 0.389
Loa Loa (eye worm) hypothetical protein 0.0106 0.3616 0.3614
Echinococcus granulosus FTZ F1 alpha 0.004 0.0799 0.0864
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0404 1
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.3892 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0508 0.0389
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.3616 0.3614
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0989 0.1678
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.1197 0.1296
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0404 0.4748
Brugia malayi Cytochrome P450 family protein 0.0029 0.035 0.0346
Loa Loa (eye worm) hypothetical protein 0.0238 0.9211 0.9211
Mycobacterium ulcerans 6-phosphofructokinase 0.0113 0.3892 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0799 0.0864
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.0799 0.0864
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1124 0.1217
Brugia malayi hypothetical protein 0.0238 0.9211 0.9211
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0656 0.0539
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0656 0.0653
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.0799 0.1213
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0656 0.0709
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0607 0.1161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0989 0.0876
Loa Loa (eye worm) steroid hormone receptor 0.004 0.0799 0.0796
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0989 0.2542
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0508 0.0389
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.0799 0.0796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0234 0.0111
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0989 0.107
Schistosoma mansoni hypothetical protein 0.0049 0.1197 0.182
Schistosoma mansoni hypothetical protein 0.0049 0.1197 0.182
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.0799 0.0796
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.3892 0.389
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.3892 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0508 0.0389
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0257 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.3892 1
Entamoeba histolytica hypothetical protein 0.0036 0.0629 0.0647
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1124 0.1217
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0629 0.0954
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.0799 0.0864
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0656 0.0539
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.3892 0.3815
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.3892 1
Echinococcus granulosus geminin 0.0176 0.6563 0.7124
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0404 0.0283
Echinococcus granulosus GPCR family 2 0.0049 0.1197 0.1296
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6256 0.6209
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0404 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0126 0.0002
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.0799 0.0864
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0404 0.4748
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0607 0.1161
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0989 0.1678
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6256 0.6209
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0799 0.0796
Schistosoma mansoni alpha glucosidase 0.0036 0.0656 0.0995
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.6641 0.6598
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.0799 0.0864
Onchocerca volvulus 0.0095 0.3137 0.4284
Schistosoma mansoni alpha-glucosidase 0.0141 0.5101 0.7772
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0508 0.0389
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0126 0.0002
Schistosoma mansoni thyroid hormone receptor 0.0166 0.6135 0.9347
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0629 0.068
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0715 0.0598
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0989 0.1503
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.5701 0.5699
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0799 0.0796
Loa Loa (eye worm) hypothetical protein 0.0025 0.0175 0.0172
Giardia lamblia GTOR 0.0044 0.0989 1
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.0799 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.0799 0.0796
Schistosoma mansoni hypothetical protein 0.0049 0.1172 0.1782
Brugia malayi 6-phosphofructokinase 0.0113 0.3892 0.389
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0799 0.0864
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.607 0.6589
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0799 0.0864
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0989 0.219
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6256 0.6209
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0656 0.0539
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0404 0.0283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0605 0.0487
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.0799 0.0864
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0989 0.2542
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0656 0.0539
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.035 0.0346
Echinococcus multilocularis FTZ F1 alpha 0.004 0.0799 0.0864
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0404 0.0283
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0656 1
Trichomonas vaginalis glucosylceramidase, putative 0.0257 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0234 0.0111
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0331 0.0209
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6256 0.6209
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6256 0.6209
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.0799 0.0864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0508 0.0389
Schistosoma mansoni thyroid hormone receptor 0.0166 0.6135 0.9347
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.9211 1
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.0799 0.0864
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.1197 0.1296
Entamoeba histolytica hypothetical protein 0.0036 0.0629 0.0647
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0629 0.068
Echinococcus multilocularis geminin 0.0176 0.6563 0.7124
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.3892 0.5928
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0656 0.1295
Trichomonas vaginalis glucosylceramidase, putative 0.0257 1 1
Echinococcus multilocularis GPCR, family 2 0.0049 0.1197 0.1296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0508 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0799 0.0796
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0656 0.0539
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1124 0.1708
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0989 0.219
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1124 0.1121
Brugia malayi nuclear receptor NHR-88 0.004 0.0799 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0799 0.0796
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0989 0.219
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0508 0.6921
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.5701 0.5699
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.0799 0.0796
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.607 0.6069
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.1197 0.1296
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0113 0.3892 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.1197 0.182
Brugia malayi Latrophilin receptor protein 2 0.0049 0.1197 0.1194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.0799 0.0796
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0799 0.0796
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.607 0.6589
Schistosoma mansoni hypothetical protein 0.0036 0.0629 0.0954
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.0799 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.0799 0.0796
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.0799 0.1213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1124 0.1708
Trichomonas vaginalis glucosylceramidase, putative 0.0257 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.0799 0.1213
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0799 0.1213
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.0799 0.1213
Schistosoma mansoni hypothetical protein 0.0106 0.3616 0.5508
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.0799 0.0796
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1172 0.1169
Echinococcus granulosus 6 phosphofructokinase 0.0113 0.3892 0.4223
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0113 0.3892 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1124 0.1708
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0371 0.025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1124 0.1217
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0605 0.0487
Trichomonas vaginalis glucosylceramidase, putative 0.0257 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.0799 0.0796
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.607 0.6069
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.3892 0.3815
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0126 0.0002
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.0799 0.0864
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.1197 0.1194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.0799 0.0796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0126 0.0002
Brugia malayi nuclear hormone receptor 0.004 0.0799 0.0796
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Brugia malayi 6-phosphofructokinase 0.0113 0.3892 0.389
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.0799 0.0864
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0234 0.0111
Schistosoma mansoni hypothetical protein 0.0126 0.4448 0.6776
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.5701 0.5699
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0508 0.0389
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1124 0.1121
Schistosoma mansoni survival motor neuron protein 0.0049 0.1172 0.1782
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0989 0.219
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.0799 0.0796
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0656 0.0539
Brugia malayi hypothetical protein 0.0025 0.0175 0.0172
Brugia malayi phosphofructokinase 0.0113 0.3892 0.389
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.6256 0.6209
Trichomonas vaginalis glucosylceramidase, putative 0.0257 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0656 0.1295
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.0799 0.0796
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.3892 0.3815
Loa Loa (eye worm) hypothetical protein 0.004 0.0799 0.0796
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0404 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.0799 0.0796
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.0799 0.0796
Schistosoma mansoni hypothetical protein 0.0176 0.6563 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0656 0.0539
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0989 0.107
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0799 0.0796
Brugia malayi hypothetical protein 0.0036 0.0629 0.0626
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1124 0.1217
Brugia malayi steroid hormone receptor 0.004 0.0799 0.0796
Echinococcus multilocularis thyroid hormone receptor alpha 0.0166 0.6135 0.6659
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.3892 0.3815
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0605 0.0487
Trypanosoma brucei glucosidase, putative 0.0036 0.0656 0.1687
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.3892 0.5928
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.0799 0.1213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0223 0.01
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.1197 0.1194
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0799 0.0864
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0607 0.1559
Echinococcus multilocularis 6 phosphofructokinase 0.0113 0.3892 0.4223
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.1197 0.1296
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.9211 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0656 0.0539

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 24 nM Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay ChEMBL. 20584610
IC50 (functional) = 179 nM Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay ChEMBL. 20584610
Inhibition (functional) = 72 % Cytotoxicity against human LNCAP cells assessed as inhibition of DHT-induced cell growth at 5 uM ChEMBL. 20584610
Inhibition (functional) = 99 % Cytotoxicity against human MDA-MB-435 cells assessed as inhibition of DHT-induced cell growth at 5 uM ChEMBL. 20584610
Ki (binding) = 3.7 nM Displacement of [3H]DHT from AR in human MDA-MB-453 cells ChEMBL. 20584610

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.

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