Detailed information for compound 1208635

Basic information

Technical information
  • TDR Targets ID: 1208635
  • Name: 5-[5-(4-fluorophenyl)-2H-pyrazol-3-yl]-3-(4-m ethoxyphenyl)-1,2,4-oxadiazole
  • MW: 336.32 | Formula: C18H13FN4O2
  • H donors: 1 H acceptors: 3 LogP: 3.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1noc(n1)c1[nH]nc(c1)c1ccc(cc1)F
  • InChi: 1S/C18H13FN4O2/c1-24-14-8-4-12(5-9-14)17-20-18(25-23-17)16-10-15(21-22-16)11-2-6-13(19)7-3-11/h2-10H,1H3,(H,21,22)
  • InChiKey: BXXNDHBHIRADPH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • G192-0249
  • NCGC00128980-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysone receptor 0.0034 0.0023 0.0316
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0024 0.0136
Loa Loa (eye worm) hypothetical protein 0.0035 0.0024 0.0343
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0275 0.0273
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0038 0.0031 0.0175
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0254 0.356
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.1377 0.2755 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.0411 0.1491
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.002 0.0018
Brugia malayi nuclear receptor RXR 0.0034 0.0023 0.0316
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1649 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.002 0.0072
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0073 0.0101 0.0099
Mycobacterium ulcerans lipase LipD 0.0035 0.0024 0.0089
Onchocerca volvulus 0.0034 0.0023 0.0888
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0024 0.0089
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0374 0.0715 1
Onchocerca volvulus 0.0049 0.0053 0.2078
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0365
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.002 0.6947
Brugia malayi hypothetical protein 0.0051 0.0058 0.0805
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0024 0.033
Brugia malayi MH2 domain containing protein 0.0356 0.0676 0.9466
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0073 0.0101 0.141
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0073 0.0101 0.141
Entamoeba histolytica hypothetical protein 0.0219 0.0398 1
Entamoeba histolytica hypothetical protein 0.0219 0.0398 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0038 0.0031 0.0175
Loa Loa (eye worm) hypothetical protein 0.0025 0.0003 0.0042
Schistosoma mansoni alpha glucosidase 0.0035 0.0024 0.0135
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0034 0.0023 0.0888
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0374 0.0715 0.4326
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0024 0.0089
Loa Loa (eye worm) hypothetical protein 0.0243 0.0447 0.6261
Onchocerca volvulus Bile acid receptor homolog 0.0073 0.0101 0.3959
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0073 0.0101 0.141
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0073 0.0101 0.141
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0073 0.0101 0.0599
Schistosoma mansoni ets-related 0.0214 0.0388 0.2343
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0034 0.0023 0.002
Schistosoma mansoni gabp alpha 0.007 0.0096 0.0571
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.002 0.6947
Echinococcus granulosus thyroid hormone receptor alpha 0.0034 0.0023 0.0124
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0073 0.0101 0.0599
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0365
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.002 0.011
Onchocerca volvulus 0.0092 0.0139 0.5477
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0024 0.033
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0365
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0024 0.0341
Brugia malayi MH1 domain containing protein 0.0024 0.0002 0.0029
Loa Loa (eye worm) RNA binding protein 0.026 0.0481 0.6731
Brugia malayi hypothetical protein 0.0243 0.0447 0.6261
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0024 0.865
Brugia malayi nuclear hormone receptor family member nhr-6 0.0034 0.0023 0.0316
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0024 0.0135
Mycobacterium ulcerans AcrR family transcriptional regulator 0.1377 0.2755 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0028 1
Brugia malayi tailless protein 0.0034 0.0023 0.0316
Schistosoma mansoni tar DNA-binding protein 0.026 0.0481 0.2908
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0024 0.033
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.002 0.6947
Brugia malayi Fli-1 protein 0.0214 0.0388 0.543
Loa Loa (eye worm) hypothetical protein 0.0035 0.0024 0.0343
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0024 0.033
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0073 0.0101 0.0599
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Schistosoma mansoni hypothetical protein 0.0095 0.0147 0.0879
Brugia malayi ecdysteroid receptor 0.0073 0.0101 0.141
Echinococcus multilocularis thyroid hormone receptor alpha 0.0073 0.0101 0.0099
Schistosoma mansoni hypothetical protein 0.0206 0.0372 0.2246
Brugia malayi hypothetical protein 0.0036 0.0027 0.0373
Brugia malayi RNA binding protein 0.026 0.0481 0.6731
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0374 0.0715 0.4326
Mycobacterium ulcerans short chain dehydrogenase 0.029 0.0544 0.1974
Brugia malayi MH2 domain containing protein 0.0024 0.0002 0.0029
Schistosoma mansoni coup transcription factor 0.0073 0.0101 0.0599
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0028 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0034 0.0023 0.0124
Loa Loa (eye worm) hypothetical protein 0.0206 0.0372 0.5207
Echinococcus granulosus ecdysone induced protein 78C 0.0073 0.0101 0.0599
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0038 0.0031 0.0433
Brugia malayi hypothetical protein 0.0038 0.0031 0.0433
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0073 0.0101 0.141
Echinococcus granulosus GPCR family 2 0.0095 0.0147 0.0879
Mycobacterium ulcerans transcriptional regulator 0.1377 0.2755 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0073 0.0101 0.141
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0036 0.0027 0.0373
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.0447 0.0445
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0028 0.0026
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.002 0.0018
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.0447 0.2704
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0073 0.0101 0.0099
Schistosoma mansoni hypothetical protein 0.0352 0.0669 0.4047
Mycobacterium tuberculosis Conserved protein 0.0035 0.0024 0.0089
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0073 0.0101 0.0599
Onchocerca volvulus 0.0035 0.0024 0.0962
Schistosoma mansoni thyroid hormone receptor 0.0073 0.0101 0.0599
Loa Loa (eye worm) beta-lactamase 0.0035 0.0024 0.0343
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0028 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0024 0.0089
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0024 0.0089
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0073 0.0101 0.0099
Loa Loa (eye worm) Smad1 0.0024 0.0002 0.0029
Brugia malayi Nuclear hormone receptor-like 1 0.0073 0.0101 0.141
Loa Loa (eye worm) hypothetical protein 0.0035 0.0024 0.0343
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0033 0.002 0.0073
Loa Loa (eye worm) hypothetical protein 0.0036 0.0026 0.0365
Echinococcus multilocularis ecdysone induced protein 78C 0.0073 0.0101 0.0099
Loa Loa (eye worm) hypothetical protein 0.0035 0.0024 0.0343
Onchocerca volvulus Protein ultraspiracle homolog 0.0073 0.0101 0.3959
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0038 0.0031 0.0029
Schistosoma mansoni nuclear receptor 0.0034 0.0023 0.0124
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0024 1
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.0031 0.0433
Trichomonas vaginalis esterase, putative 0.0035 0.0024 0.033
Trypanosoma brucei glucosidase, putative 0.0035 0.0024 0.8604
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0024 0.8754
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0095 0.0147 0.0145
Schistosoma mansoni zinc finger protein 0.0034 0.0023 0.0124
Onchocerca volvulus Protein cycle homolog 0.0036 0.0027 0.1046
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1649 0.1647
Schistosoma mansoni tar DNA-binding protein 0.026 0.0481 0.2908
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0023 0.002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0073 0.0101 0.0599
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0301 0.0566 0.7923
Onchocerca volvulus 0.005 0.0054 0.211
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.002 0.0018
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0024 0.0136
Echinococcus granulosus GA binding protein alpha chain 0.007 0.0096 0.0571
Toxoplasma gondii ABC1 family protein 0.0035 0.0024 0.865
Schistosoma mansoni survival motor neuron protein 0.005 0.0054 0.0313
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Onchocerca volvulus 0.0148 0.0254 1
Brugia malayi beta-lactamase family protein 0.0035 0.0024 0.0343
Brugia malayi RNA recognition motif domain containing protein 0.026 0.0481 0.6731
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.0275 0.3853
Schistosoma mansoni nuclear hormone receptor 0.0073 0.0101 0.0599
Loa Loa (eye worm) inositol-1 0.0037 0.0028 0.0389
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0024 0.0022
Brugia malayi nuclear receptor RXR 0.0038 0.0031 0.0433
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.002 0.0283
Echinococcus granulosus geminin 0.0352 0.0669 0.4047
Echinococcus multilocularis aryl hydrocarbon receptor 0.0052 0.0058 0.0056
Brugia malayi latrophilin 2 splice variant baaae 0.0206 0.0372 0.5207
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0073 0.0101 0.141
Schistosoma mansoni thyroid hormone receptor 0.0073 0.0101 0.0599
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0028 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.0024 0.0089
Echinococcus granulosus Nuclear hormone receptor HR96 0.0034 0.0023 0.0124
Brugia malayi beta-lactamase 0.0035 0.0024 0.0343
Schistosoma mansoni hypothetical protein 0.0095 0.0147 0.0879
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0374 0.0715 0.0713
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0374 0.0715 0.4326
Echinococcus multilocularis FTZ F1 alpha 0.0073 0.0101 0.0099
Schistosoma mansoni hypothetical protein 0.005 0.0054 0.0313
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0073 0.0101 0.3959
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0028 0.07
Echinococcus granulosus aryl hydrocarbon receptor 0.0052 0.0058 0.034
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0095 0.0147 0.0879
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Loa Loa (eye worm) hypothetical protein 0.0038 0.0031 0.0433
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0034 0.0023 0.0124
Echinococcus multilocularis nuclear receptor nhr 48 0.0034 0.0023 0.002
Brugia malayi TAR-binding protein 0.026 0.0481 0.6731
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0028 0.0101
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0024 0.8604
Brugia malayi hypothetical protein 0.0038 0.0031 0.0433
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0053 0.0308
Loa Loa (eye worm) nuclear hormone receptor 0.0034 0.0023 0.0316
Brugia malayi MH2 domain containing protein 0.0024 0.0002 0.0029
Brugia malayi Smad1 0.0024 0.0002 0.0029
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0073 0.0101 0.0599
Loa Loa (eye worm) TAR-binding protein 0.026 0.0481 0.6731
Loa Loa (eye worm) transcription factor SMAD2 0.0356 0.0676 0.9466
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0073 0.0101 0.0599
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0024 0.0089
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0073 0.0101 0.0599
Entamoeba histolytica hypothetical protein 0.0219 0.0398 1
Echinococcus granulosus tar DNA binding protein 0.026 0.0481 0.2908
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0374 0.0715 0.0713
Loa Loa (eye worm) hypothetical protein 0.0035 0.0024 0.0343
Schistosoma mansoni alpha-glucosidase 0.0136 0.023 0.1386
Schistosoma mansoni hypothetical protein 0.0095 0.0147 0.0879
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.002 0.0072
Brugia malayi hypothetical protein 0.0036 0.0026 0.0365
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0073 0.0101 0.141
Onchocerca volvulus 0.0034 0.0023 0.0888
Schistosoma mansoni alpha-glucosidase 0.0136 0.023 0.1386
Schistosoma mansoni RAR-like nuclear receptor 0.0073 0.0101 0.0599
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.026 0.0481 0.6731
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0073 0.0101 0.0099
Echinococcus multilocularis geminin 0.0352 0.0669 0.0667
Schistosoma mansoni hypothetical protein 0.0095 0.0147 0.0879
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0024 0.8604
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0023 0.0124
Brugia malayi nuclear hormone receptor 0.0034 0.0023 0.0316
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0095 0.0147 0.0879
Schistosoma mansoni tar DNA-binding protein 0.026 0.0481 0.2908
Schistosoma mansoni nuclear receptor nhr-48 0.0034 0.0023 0.0124
Loa Loa (eye worm) hypothetical protein 0.0095 0.0147 0.2055
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0023 0.0124
Loa Loa (eye worm) hypothetical protein 0.0038 0.0031 0.0433
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.002 0.6947
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0219 0.0398 0.2402
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Brugia malayi Nuclear hormone receptor E75 0.0034 0.0023 0.0316
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0024 0.0089
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Loa Loa (eye worm) hypothetical protein 0.0051 0.0058 0.0805
Brugia malayi Latrophilin receptor protein 2 0.0095 0.0147 0.2055
Brugia malayi steroid hormone receptor 0.0073 0.0101 0.141
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0024 0.0343
Loa Loa (eye worm) hypothetical protein 0.0038 0.0031 0.0433
Echinococcus granulosus Nuclear hormone receptor HR96 0.0034 0.0023 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0073 0.0101 0.141
Loa Loa (eye worm) hypothetical protein 0.0038 0.0031 0.0433
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0034 0.0023 0.002
Mycobacterium ulcerans hypothetical protein 0.0035 0.0024 0.0089
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0024 0.0341
Leishmania major hypothetical protein, conserved 0.0025 0.0003 0.1071
Brugia malayi Nuclear hormone receptor E75 0.0034 0.0023 0.0316
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0073 0.0101 0.0099
Echinococcus granulosus nuclear receptor nhr 48 0.0034 0.0023 0.0124
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0024 0.0089
Loa Loa (eye worm) steroid hormone receptor 0.0073 0.0101 0.141
Loa Loa (eye worm) latrophilin receptor protein 2 0.0095 0.0147 0.2055
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0052 0.0058 0.0813
Brugia malayi isocitrate dehydrogenase 0.0033 0.002 0.0283
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0024 0.865
Loa Loa (eye worm) hypothetical protein 0.0038 0.0031 0.0433
Brugia malayi beta-lactamase family protein 0.0035 0.0024 0.0343
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0024 0.8604
Brugia malayi photoreceptor-specific nuclear receptor 0.0073 0.0101 0.141
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0028 1
Loa Loa (eye worm) DR-78 0.0034 0.0023 0.0316
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0073 0.0101 0.0599
Brugia malayi Ets-domain containing protein 0.007 0.0096 0.1345
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.0096 0.0094
Mycobacterium ulcerans beta-lactamase 0.0035 0.0024 0.0089
Mycobacterium tuberculosis Probable oxidoreductase 0.029 0.0544 0.1974
Brugia malayi MH1 domain containing protein 0.0024 0.0002 0.0029
Brugia malayi nuclear hormone receptor family member odr-7 0.0034 0.0023 0.0316
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0054 0.0751
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0024 0.0089
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0073 0.0101 0.141
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0024 0.0136
Mycobacterium ulcerans TetR family transcriptional regulator 0.1377 0.2755 1
Echinococcus multilocularis GPCR, family 2 0.0095 0.0147 0.0145
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Brugia malayi Nuclear hormone receptor-like 1 0.0038 0.0031 0.0433
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0024 0.0343
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0028 1
Brugia malayi orphan nuclear receptor NR2E1 0.0034 0.0023 0.0316
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0374 0.0715 0.4326
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0034 0.0023 0.0888
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0073 0.0101 0.141
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.002 0.011
Schistosoma mansoni nuclear receptor 0.0034 0.0023 0.0124
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.0096 0.1345
Loa Loa (eye worm) fli-1 protein 0.0214 0.0388 0.543
Onchocerca volvulus 0.0073 0.0101 0.3959
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0073 0.0101 0.141
Schistosoma mansoni hypothetical protein 0.0219 0.0398 0.2402
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0073 0.0101 0.0599
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Echinococcus granulosus FTZ F1 alpha 0.0073 0.0101 0.0599
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0073 0.0101 0.0099
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0038 0.0031 0.0175
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0034 0.0023 0.002
Loa Loa (eye worm) hypothetical protein 0.0301 0.0566 0.7923
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.002 0.6947
Brugia malayi Ets-domain containing protein 0.007 0.0096 0.1345
Loa Loa (eye worm) hypothetical protein 0.006 0.0075 0.1055
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0034 0.0023 0.0316
Brugia malayi nuclear hormone receptor 0.0073 0.0101 0.141
Brugia malayi hypothetical protein 0.0034 0.0023 0.0316
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0073 0.0101 0.0599
Brugia malayi Isocitrate dehydrogenase 0.0033 0.002 0.0283
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0374 0.0715 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0073 0.0101 0.0599
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.1377 0.2755 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0036 0.0026 0.0365
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1649 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0034 0.0023 0.002
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.002 1
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0036 0.0027 0.0149
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0002 0.0029
Echinococcus multilocularis tar DNA binding protein 0.026 0.0481 0.0479
Brugia malayi nuclear receptor NHR-88 0.0073 0.0101 0.141
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0024 0.0613
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.002 0.7274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0073 0.0101 0.141
Brugia malayi nuclear receptor NHR-88 0.0034 0.0023 0.0316
Schistosoma mansoni transcription factor LCR-F1 0.0219 0.0398 0.2402
Brugia malayi nuclear receptor NHR-67 0.0034 0.0023 0.0316
Schistosoma mansoni retinoic acid receptor RXR 0.0073 0.0101 0.0599
Loa Loa (eye worm) MH2 domain-containing protein 0.0356 0.0676 0.9466
Brugia malayi hypothetical protein 0.0219 0.0398 0.5566
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.002 0.803
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0024 0.865
Echinococcus granulosus tumor protein p63 0.0336 0.0636 0.3851
Onchocerca volvulus 0.0051 0.0058 0.2263
Brugia malayi Steroid receptor seven-up type 2 0.0073 0.0101 0.141
Schistosoma mansoni inositol monophosphatase 0.0037 0.0028 0.0156
Brugia malayi Inositol-1 0.0037 0.0028 0.0389
Schistosoma mansoni hypothetical protein 0.0352 0.0669 0.4047
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Loa Loa (eye worm) hypothetical protein 0.0073 0.0101 0.141
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0024 0.0613
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0275 0.0273
Loa Loa (eye worm) nuclear receptor NHR-67 0.0034 0.0023 0.0316
Brugia malayi hypothetical protein 0.0034 0.0023 0.0316
Loa Loa (eye worm) hypothetical protein 0.0034 0.0023 0.0316
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.002 0.6947
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0024 0.0089
Loa Loa (eye worm) hypothetical protein 0.0049 0.0053 0.074
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0073 0.0101 0.141
Brugia malayi conserved hypotetical protein 0.0034 0.0023 0.0316
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0034 0.0023 0.0124
Schistosoma mansoni tar DNA-binding protein 0.026 0.0481 0.2908
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.002 0.0018
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0095 0.0147 0.0145
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0374 0.0715 0.4326
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0073 0.0101 0.0599
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0028 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0024 0.0089
Loa Loa (eye worm) hypothetical protein 0.0035 0.0024 0.0343
Echinococcus multilocularis tumor protein p63 0.0336 0.0636 0.0634
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0024 0.033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0301 0.0566 0.7923
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0024 0.0089
Onchocerca volvulus 0.0035 0.0024 0.0962
Brugia malayi hypothetical protein 0.0148 0.0254 0.356
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0073 0.0101 0.141
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0073 0.0101 0.141
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.0275 0.1659
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0219 0.0398 0.0396
Brugia malayi hypothetical protein 0.0025 0.0003 0.0042
Entamoeba histolytica hypothetical protein 0.0219 0.0398 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0073 0.0101 0.0599
Leishmania major hypothetical protein, conserved 0.0035 0.0024 0.8795
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0073 0.0101 0.141
Brugia malayi Calcitonin receptor-like protein seb-1 0.0301 0.0566 0.7923
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0023 0.0124
Schistosoma mansoni tar DNA-binding protein 0.026 0.0481 0.2908
Onchocerca volvulus 0.0035 0.0024 0.0962
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0036 0.0027 0.0373
Mycobacterium tuberculosis Conserved protein 0.0035 0.0024 0.0089
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0073 0.0101 0.141
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0024 0.0022
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.002 0.0018
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0034 0.0023 0.0316
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.0275 0.3853
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0036 0.0027 0.0373
Schistosoma mansoni inositol monophosphatase 0.0037 0.0028 0.0156
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0073 0.0101 0.141
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0002 0.0029
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0028 0.0156
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0095 0.0147 0.2055
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0073 0.0101 0.141

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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