Detailed information for compound 1405815

Basic information

Technical information
  • TDR Targets ID: 1405815
  • Name: 1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl) -4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)etha none
  • MW: 372.382 | Formula: C18H23F3N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1N=C(CC1(O)C(C)(C)C)C(F)(F)F)COc1ccc(c(c1)C)C
  • InChi: 1S/C18H23F3N2O3/c1-11-6-7-13(8-12(11)2)26-10-15(24)23-17(25,16(3,4)5)9-14(22-23)18(19,20)21/h6-8,25H,9-10H2,1-5H3
  • InChiKey: BTXWJMVVMDBPBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • EU-0079244
  • 1-(5-tert-Butyl-5-hydroxy-3-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-2-(3,4-dimethyl-phenoxy)-ethanone
  • STOCK2S-56794
  • MLS000067623
  • BAS 02987858
  • 2-Pyrazoline, 5-hydroxy-5-(1,1-dimethylethyl)-3-trifluoromethyl-1-(3,4-dimethylphenoxyacetyl)-
  • 5-tert-Butyl-1-[(3,4-dimethylphenoxy)acetyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
  • SMR000115852

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens X-box binding protein 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus DNA-damage inducible transcript 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Echinococcus multilocularis X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134980 All targets in OG5_134980
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus X box binding protein 1 Get druggable targets OG5_134980 All targets in OG5_134980
Schistosoma japonicum IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac Get druggable targets OG5_134980 All targets in OG5_134980
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0086 0.0505 0.0525
Loa Loa (eye worm) steroid hormone receptor 0.0086 0.0505 0.0595
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0146 0.9478
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.017 0.0052
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0146 0.9478
Loa Loa (eye worm) hypothetical protein 0.0045 0.0161 0.0189
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0154 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0086 0.0505 0.0525
Loa Loa (eye worm) RNA binding protein 0.0064 0.0322 0.038
Brugia malayi conserved hypotetical protein 0.0041 0.0119 0.0141
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0146 0.0172
Loa Loa (eye worm) hypothetical protein 0.0046 0.0162 0.0191
Echinococcus granulosus Nuclear hormone receptor HR96 0.0041 0.0119 0.0119
Echinococcus granulosus tar DNA binding protein 0.0064 0.0322 0.0322
Loa Loa (eye worm) nuclear hormone receptor 0.0041 0.0119 0.0141
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0086 0.0505 0.039
Schistosoma mansoni RAR-like nuclear receptor 0.0086 0.0505 0.039
Trypanosoma brucei glucosidase, putative 0.0044 0.0146 0.0172
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0154 0.0154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0086 0.0505 0.0595
Brugia malayi RNA binding protein 0.0064 0.0322 0.038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0086 0.0505 0.0595
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0086 0.0505 0.0595
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0162 0.0191
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0154 1
Schistosoma mansoni nuclear hormone receptor 0.0086 0.0505 0.039
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0086 0.0505 0.0595
Brugia malayi nuclear hormone receptor family member nhr-6 0.0041 0.0119 0.0141
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.1025 0.8485 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0086 0.0505 0.0505
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1025 0.8485 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0114 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0086 0.0505 0.0595
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0086 0.0505 0.0595
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0041 0.0119 0.0141
Schistosoma mansoni coup transcription factor 0.0086 0.0505 0.039
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0086 0.0505 0.0595
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0322 0.0206
Echinococcus multilocularis thyroid hormone receptor alpha 0.0086 0.0505 0.0525
Brugia malayi steroid hormone receptor 0.0086 0.0505 0.0595
Echinococcus granulosus nuclear receptor nhr 48 0.0041 0.0119 0.0119
Brugia malayi photoreceptor-specific nuclear receptor 0.0086 0.0505 0.0595
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0086 0.0505 0.039
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0161 0.0189
Entamoeba histolytica hypothetical protein 0.0043 0.0144 0.017
Schistosoma mansoni hypothetical protein 0.0043 0.0144 0.0025
Echinococcus granulosus Nuclear hormone receptor HR96 0.0041 0.0119 0.0119
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0086 0.0505 0.039
Brugia malayi Nuclear hormone receptor-like 1 0.0086 0.0505 0.0595
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.1025 0.8485 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0045 0.0161 0.0042
Leishmania major DNA polymerase eta, putative 0.0046 0.0162 0.0191
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0154 0.0181
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0086 0.0505 0.0505
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.017 0.0177
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0154 1
Brugia malayi nuclear receptor RXR 0.0041 0.0119 0.0141
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0041 0.0119 0.0124
Echinococcus granulosus ecdysone induced protein 78C 0.0086 0.0505 0.0505
Schistosoma mansoni alpha-glucosidase 0.0169 0.1214 0.1108
Brugia malayi nuclear receptor NHR-67 0.0041 0.0119 0.0141
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1446 0.1705
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0146 0.0172
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0144 0.0025
Echinococcus multilocularis FTZ F1 alpha 0.0086 0.0505 0.0525
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.1025 0.8485 0.8466
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0086 0.0505 0.0525
Brugia malayi ecdysteroid receptor 0.0086 0.0505 0.0595
Brugia malayi nuclear hormone receptor 0.0041 0.0119 0.0141
Echinococcus granulosus transcription factor Dp 1 0.0593 0.4816 0.4816
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0161 0.0189
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0154 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1446 0.1446
Echinococcus multilocularis dna polymerase eta 0.0046 0.0162 0.0168
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0086 0.0505 0.0595
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0322 0.0206
Schistosoma mansoni thyroid hormone receptor 0.0086 0.0505 0.039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0086 0.0505 0.0595
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Brugia malayi nuclear receptor RXR 0.0045 0.0161 0.0189
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0146 0.9478
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.1025 0.8485 0.8485
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0086 0.0505 0.039
Brugia malayi Nuclear hormone receptor E75 0.0041 0.0119 0.0141
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1446 0.1705
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1025 0.8485 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0086 0.0505 0.0505
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0086 0.0505 0.0595
Brugia malayi nuclear hormone receptor 0.0086 0.0505 0.0595
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0047 0.0055
Echinococcus granulosus geminin 0.0205 0.1513 0.1513
Brugia malayi hypothetical protein 0.0041 0.0119 0.0141
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0146 0.0152
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0144 0.0144
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0322 0.038
Schistosoma mansoni hypothetical protein 0.0348 0.2731 0.2643
Loa Loa (eye worm) hypothetical protein 0.0045 0.0161 0.0189
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0086 0.0505 0.0505
Brugia malayi hypothetical protein 0.0045 0.0161 0.0189
Onchocerca volvulus Bile acid receptor homolog 0.0086 0.0505 0.6197
Entamoeba histolytica hypothetical protein 0.0043 0.0144 0.017
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0154 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Echinococcus multilocularis geminin 0.0205 0.1513 0.1574
Loa Loa (eye worm) nuclear receptor NHR-67 0.0041 0.0119 0.0141
Echinococcus multilocularis nuclear receptor nhr 48 0.0041 0.0119 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.017 0.0052
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0322 0.0206
Schistosoma mansoni inositol monophosphatase 0.0045 0.0154 0.0035
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0154 0.016
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0086 0.0505 0.0595
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0146 0.0172
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0041 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0205 0.1513 0.1411
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0086 0.0505 0.0505
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1158 0.9614 1
Schistosoma mansoni DNA polymerase eta 0.0046 0.0162 0.0043
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.017 0.0201
Brugia malayi hypothetical protein 0.0041 0.0119 0.0141
Brugia malayi hypothetical protein 0.0045 0.0161 0.0189
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.017 0.0052
Echinococcus granulosus FTZ F1 alpha 0.0086 0.0505 0.0505
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0322 0.0206
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0144 0.015
Brugia malayi nuclear receptor NHR-88 0.0041 0.0119 0.0141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.017 0.017
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0154 0.0181
Brugia malayi Steroid receptor seven-up type 2 0.0086 0.0505 0.0595
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0146 0.9478
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.017 0.0177
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0322 0.038
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0146 0.9478
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0114 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0144 0.017
Schistosoma mansoni alpha-glucosidase 0.0169 0.1214 0.1108
Brugia malayi ecdysone receptor 0.0041 0.0119 0.0141
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0086 0.0505 0.6197
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0041 0.0119 0.0124
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0086 0.0505 0.0595
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0086 0.0505 0.0595
Onchocerca volvulus 0.0086 0.0505 0.6197
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0154 0.0181
Loa Loa (eye worm) hypothetical protein 0.0045 0.0161 0.0189
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0154 0.0181
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0041 0.0119 0.0124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.017 0.017
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0045 0.0161 0.0189
Brugia malayi TAR-binding protein 0.0064 0.0322 0.038
Echinococcus granulosus thyroid hormone receptor alpha 0.0041 0.0119 0.0119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0086 0.0505 0.0595
Loa Loa (eye worm) hypothetical protein 0.0045 0.0161 0.0189
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0154 0.0181
Loa Loa (eye worm) inositol-1 0.0045 0.0154 0.0181
Brugia malayi ImpB/MucB/SamB family protein 0.0046 0.0162 0.0191
Onchocerca volvulus Protein ultraspiracle homolog 0.0086 0.0505 0.6197
Echinococcus granulosus dna polymerase eta 0.0046 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Echinococcus multilocularis ecdysone induced protein 78C 0.0086 0.0505 0.0525
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0086 0.0505 0.0595
Brugia malayi nuclear receptor NHR-88 0.0086 0.0505 0.0595
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Schistosoma mansoni hypothetical protein 0.0205 0.1513 0.1411
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.1025 0.8485 0.8825
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0154 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0086 0.0505 0.039
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0041 0.0119 0.0124
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Echinococcus multilocularis transcription factor Dp 1 0.0593 0.4816 0.501
Trypanosoma brucei DNA polymerase eta, putative 0.0046 0.0162 0.0191
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0322 0.038
Brugia malayi tailless protein 0.0041 0.0119 0.0141
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0047 0.3045
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0086 0.0505 0.0595
Schistosoma mansoni inositol monophosphatase 0.0045 0.0154 0.0035
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0146 0.9478
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0146 0.9478
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0086 0.0505 0.0525
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0045 0.0161 0.0189
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0146 0.9478
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.1025 0.8485 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0322 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0086 0.0505 0.0595
Schistosoma mansoni steroid hormone receptor ad4bp 0.0086 0.0505 0.039
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0146 0.0172
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0146 0.0172
Echinococcus granulosus X box binding protein 1 0.0348 0.2731 0.2731
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0146 0.9478
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0146 0.0172
Entamoeba histolytica hypothetical protein 0.0043 0.0144 0.017
Schistosoma mansoni thyroid hormone receptor 0.0086 0.0505 0.039
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0086 0.0505 0.0525
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0086 0.0505 0.0595
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.1025 0.8485 1
Loa Loa (eye worm) DR-78 0.0041 0.0119 0.0141
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0045 0.0161 0.0167
Brugia malayi Nuclear hormone receptor E75 0.0041 0.0119 0.0141
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0086 0.0505 0.0505
Brugia malayi orphan nuclear receptor NR2E1 0.0041 0.0119 0.0141
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0086 0.0505 0.039
Echinococcus multilocularis X box binding protein 1 0.0348 0.2731 0.284
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0045 0.0161 0.0161
Brugia malayi hypothetical protein 0.0043 0.0144 0.017
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0322 0.0206
Leishmania major DNA polymerase eta, putative 0.0032 0.0047 0.0055
Schistosoma mansoni alpha glucosidase 0.0044 0.0146 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0086 0.0505 0.0525
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Onchocerca volvulus 0.0114 0.0742 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.1025 0.8485 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0045 0.0161 0.0042
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1446 0.1504
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0041 0.0119 0.0119
Brugia malayi nuclear hormone receptor family member odr-7 0.0041 0.0119 0.0141
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1446 0.1504
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0086 0.0505 0.0595
Brugia malayi Inositol-1 0.0045 0.0154 0.0181
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0146 0.9478
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0041 0.0119 0.0141
Loa Loa (eye worm) hypothetical protein 0.0041 0.0119 0.0141
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0146 0.0172
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0086 0.0505 0.0595
Loa Loa (eye worm) hypothetical protein 0.0086 0.0505 0.0595
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.017 0.0201

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 5.25 uM PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
IC50 (functional) = 5.58 uM PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217] ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.1714 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.1995 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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