Detailed information for compound 1229745

Basic information

Technical information
  • TDR Targets ID: 1229745
  • Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(4- methylphenyl)-7-(phenylmethyl)-4,5-dihydropyr azolo[4,5-e]pyridin-6-one
  • MW: 437.536 | Formula: C27H27N5O
  • H donors: 0 H acceptors: 4 LogP: 4.68 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1CC(=O)N(c2c1c(C)nn2c1nc(C)cc(n1)C)Cc1ccccc1
  • InChi: 1S/C27H27N5O/c1-17-10-12-22(13-11-17)23-15-24(33)31(16-21-8-6-5-7-9-21)26-25(23)20(4)30-32(26)27-28-18(2)14-19(3)29-27/h5-14,23H,15-16H2,1-4H3
  • InChiKey: ZATIDHUUECQNLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4,6-dimethyl-2-pyrimidinyl)-3-methyl-4-(4-methylphenyl)-7-(phenylmethyl)-4,5-dihydropyrazolo[4,5-e]pyridin-6-one
  • 7-(benzyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(4-methylphenyl)-4,5-dihydropyrazolo[4,5-e]pyridin-6-one
  • D292-0089
  • NCGC00118068-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0009 0.0015
Loa Loa (eye worm) hypothetical protein 0.0131 0.3157 0.5486
Brugia malayi AMP-binding enzyme family protein 0.0121 0.29 0.5039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2322 0.2322
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0259 0.3181
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0127 0.0127
Brugia malayi AMP-binding enzyme family protein 0.0035 0.0764 0.1328
Loa Loa (eye worm) oxidoreductase 0.0035 0.0764 0.1328
Loa Loa (eye worm) hypothetical protein 0.0099 0.235 0.4084
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0586 0.1017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0127 0.0221
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0035 0.0764 0.9388
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0716 0.2468
Echinococcus multilocularis acetylcholinesterase 0.0131 0.3157 0.3157
Loa Loa (eye worm) inositol-1 0.0037 0.0814 0.1415
Brugia malayi hypothetical protein 0.0022 0.0431 0.0749
Giardia lamblia Long chain fatty acid CoA ligase 4 0.0005 0 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0764 0.2636
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0127 0.0127
Onchocerca volvulus 0.0053 0.12 0.412
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0035 0.0764 0.2636
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0025 0.0515 0.0515
Giardia lamblia Long chain fatty acid CoA ligase, putative 0.0005 0 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0053 0.0053
Entamoeba histolytica acyl-CoA synthetase, putative 0.0121 0.29 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0259 0.3181
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0035 0.0764 0.1328
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0025 0.0515 0.0895
Brugia malayi AMP-binding enzyme family protein 0.0035 0.0764 0.1328
Leishmania major 4-coumarate:coa ligase-like protein 0.0121 0.29 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0127 0.0127
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0259 0.0259
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0038 0.0463
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.2322 0.4034
Loa Loa (eye worm) carboxylesterase 0.0022 0.0431 0.0749
Trichomonas vaginalis antibiotic synthetase, putative 0.0035 0.0764 0.9388
Echinococcus multilocularis para nitrobenzyl esterase 0.0022 0.0431 0.0431
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0127 0.0127
Echinococcus multilocularis lamin dm0 0.0053 0.12 0.12
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0131 0.3157 0.3157
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0085 0.2012 0.6939
Schistosoma mansoni hypothetical protein 0.0031 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.0025 0.0491 0.0853
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.2322 0.2322
Brugia malayi nuclear receptor RXR 0.0005 0.0009 0.0015
Loa Loa (eye worm) hypothetical protein 0.009 0.2136 0.3711
Brugia malayi hypothetical protein 0.0121 0.2912 0.506
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0005 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0259 0.1212
Loa Loa (eye worm) hypothetical protein 0.0052 0.1176 0.2043
Schistosoma mansoni intermediate filament proteins 0.0053 0.12 0.12
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0259 0.045
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0127 0.0221
Echinococcus granulosus lamin dm0 0.0053 0.12 0.12
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0005 0 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0022 0.0431 0.0431
Brugia malayi follicle stimulating hormone receptor 0.0235 0.5755 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0431 0.0431
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.235 0.4084
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0127 0.0127
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0127 0.0127
Mycobacterium ulcerans acyl-CoA synthetase 0.0121 0.29 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0009 0.0009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0038 0.0463
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0068 0.1568 0.2724
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0764 0.2636
Treponema pallidum long-chain-fatty-acid--CoA ligase 0.0005 0 0.5
Schistosoma mansoni acetyl-CoA synthetase 0.0035 0.0764 0.0764
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0035 0.0764 0.2636
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.009 0.2136 0.7364
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0127 0.0221
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0259 0.0259
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0127 0.0221
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0035 0.0764 0.1328
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0009 0.0009
Schistosoma mansoni neuroligin 3 (S09 family) 0.0022 0.0431 0.0431
Onchocerca volvulus 0.0121 0.29 0.9958
Schistosoma mansoni lamin 0.0053 0.12 0.12
Brugia malayi nuclear receptor NHR-88 0.001 0.0127 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Loa Loa (eye worm) hypothetical protein 0.0121 0.2912 0.506
Echinococcus granulosus neuroligin 0.0022 0.0431 0.0431
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0764 0.2636
Onchocerca volvulus 0.0022 0.0431 0.148
Schistosoma mansoni cpg binding protein 0.003 0.0628 0.0628
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0814 0.0814
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.12 0.2085
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0035 0.0764 0.9388
Brugia malayi Carboxylesterase family protein 0.0131 0.3157 0.5486
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0121 0.29 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1568 0.2724
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0659 0.0659
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0035 0.0764 0.9388
Onchocerca volvulus Huntingtin homolog 0.0121 0.2912 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0431 0.0749
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0035 0.0764 0.9388
Schistosoma mansoni cpg binding protein 0.003 0.0628 0.0628
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.235 0.4084
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0659 0.1146
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0035 0.0764 0.1328
Echinococcus granulosus acetylcholinesterase 0.0131 0.3157 0.3157
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0085 0.2012 0.6939
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0022 0.0431 0.0431
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0009 0.0009
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0127 0.0221
Schistosoma mansoni hypothetical protein 0.0031 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.0131 0.3157 0.5486
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0127 0.0127
Schistosoma mansoni thyroid hormone receptor 0.001 0.0127 0.0127
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0127 0.0127
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0814 1
Brugia malayi intermediate filament protein 0.0053 0.12 0.2085
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0814 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0259 0.1212
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0035 0.0764 0.2636
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0035 0.0764 0.2636
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0094 0.0163
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0127 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0127 0.0221
Echinococcus multilocularis lamin 0.0053 0.12 0.12
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0431 0.0431
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0814 1
Onchocerca volvulus 0.0022 0.0431 0.148
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0035 0.0764 0.2636
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0121 0.29 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0121 0.29 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Entamoeba histolytica acyl-coA synthetase, putative 0.0121 0.29 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0127 0.0221
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Echinococcus multilocularis musashi 0.0053 0.12 0.12
Loa Loa (eye worm) hypothetical protein 0.009 0.2136 0.3711
Schistosoma mansoni lamin 0.0053 0.12 0.12
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0259 0.0893
Mycobacterium ulcerans acetyl-CoA synthetase 0.0035 0.0764 0.2636
Schistosoma mansoni nuclear hormone receptor 0.001 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0015
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0127 0.0127
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0035 0.0764 0.6248
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0659 0.1146
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.5755 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0035 0.0764 0.0764
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0035 0.0764 0.2636
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0038 0.0463
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0035 0.0764 0.2636
Plasmodium falciparum acyl-CoA synthetase 0.009 0.2136 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.12 0.2085
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0015
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0121 0.29 1
Schistosoma mansoni hypothetical protein 0.0031 0.0659 0.0659
Plasmodium vivax acetyl-CoA synthetase, putative 0.0035 0.0764 0.3579
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0259 0.2117
Loa Loa (eye worm) hypothetical protein 0.0022 0.0431 0.0749
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0127 0.0221
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0035 0.0764 0.2636
Loa Loa (eye worm) hypothetical protein 0.0121 0.29 0.5039
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0035 0.0764 0.9388
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0127 0.0221
Brugia malayi AMP-binding enzyme family protein 0.0035 0.0764 0.1328
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0259 0.045
Brugia malayi Inositol-1 0.0037 0.0814 0.1415
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0085 0.2012 0.6939
Brugia malayi hypothetical protein 0.0005 0.0009 0.0015
Mycobacterium ulcerans fatty-acid-CoA ligase 0.009 0.2136 0.7364
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0127 0.0127
Onchocerca volvulus 0.0035 0.0764 0.2624
Echinococcus granulosus GPCR family 2 0.0031 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.0121 0.2912 0.506
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0127 0.0221
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0009 0.0015
Mycobacterium ulcerans acyl-CoA synthetase 0.0121 0.29 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0035 0.0764 0.0764
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0814 0.6655
Onchocerca volvulus 0.0035 0.0764 0.2624
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0127 0.0127
Schistosoma mansoni coup transcription factor 0.001 0.0127 0.0127
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0431 0.1486
Echinococcus granulosus BC026374 protein S09 family 0.0022 0.0431 0.0431
Trichomonas vaginalis spcc417.12 protein, putative 0.0022 0.0431 0.5294
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0127 0.0127
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0035 0.0764 0.2636
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0127 0.0127
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Schistosoma mansoni hypothetical protein 0.0031 0.0659 0.0659
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0127 0.0221
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0814 0.0814
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0127 0.0221
Loa Loa (eye worm) hypothetical protein 0.0022 0.0431 0.0749
Brugia malayi AMP-binding enzyme family protein 0.0121 0.29 0.5039
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0038 0.0463
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0587 0.1021
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0035 0.0764 0.2636
Echinococcus multilocularis dnaJ subfamily B 0.0404 1 1
Echinococcus multilocularis neuroligin 0.0022 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Brugia malayi Carboxylesterase family protein 0.0022 0.0431 0.0749
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Trichomonas vaginalis helicase, putative 0.0006 0.0038 0.0463
Echinococcus granulosus lamin 0.0053 0.12 0.12
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0586 0.1017
Loa Loa (eye worm) carboxylesterase 0.0022 0.0431 0.0749
Schistosoma mansoni hypothetical protein 0.0404 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2322 0.2322
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0035 0.0764 0.2636
Brugia malayi CXXC zinc finger family protein 0.0028 0.0587 0.1021
Echinococcus multilocularis GPCR, family 2 0.0031 0.0659 0.0659
Plasmodium vivax acyl-CoA synthetase, putative 0.009 0.2136 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0015
Loa Loa (eye worm) hypothetical protein 0.0121 0.29 0.5039
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1223 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0053 0.0053
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0127 0.0436
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0038 0.0463
Loa Loa (eye worm) acetylcholinesterase 1 0.0131 0.3157 0.5486
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0431 0.0431
Mycobacterium ulcerans hypothetical protein 0.0121 0.29 1
Brugia malayi hypothetical protein 0.0005 0.0009 0.0015
Brugia malayi Carboxylesterase family protein 0.0022 0.0431 0.0749
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0053 0.0053
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0009 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0127 0.0221
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0127 0.0221
Loa Loa (eye worm) hypothetical protein 0.0025 0.0491 0.0853
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Schistosoma mansoni gliotactin 0.0022 0.0431 0.0431
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0259 0.0259
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0259 0.3181
Leishmania major acetyl-CoA synthetase, putative 0.0035 0.0764 0.2636
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0035 0.0764 0.2636
Echinococcus multilocularis acetylcholinesterase 0.0131 0.3157 0.3157
Echinococcus multilocularis cpg binding protein 0.003 0.0628 0.0628
Schistosoma mansoni inositol monophosphatase 0.0037 0.0814 0.0814
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0035 0.0764 0.2636
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0127 0.0127
Onchocerca volvulus Huntingtin homolog 0.0121 0.2912 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0127 0.0436
Onchocerca volvulus 0.001 0.0127 0.0436
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0127 0.0221
Loa Loa (eye worm) hypothetical protein 0.009 0.2136 0.3711
Loa Loa (eye worm) hypothetical protein 0.0121 0.29 0.5039
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0015
Mycobacterium ulcerans carboxylesterase, LipT 0.0022 0.0431 0.1486
Brugia malayi Carboxylesterase family protein 0.0022 0.0431 0.0749
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Loa Loa (eye worm) hypothetical protein 0.0022 0.0431 0.0749
Loa Loa (eye worm) hypothetical protein 0.009 0.2136 0.3711
Leishmania major 4-coumarate:coa ligase-like protein 0.0121 0.29 1
Schistosoma mansoni hypothetical protein 0.0068 0.1568 0.1568
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0814 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0121 0.29 1
Echinococcus granulosus acetylcholinesterase 0.0131 0.3157 0.3157
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0127 0.0127
Brugia malayi isocitrate dehydrogenase 0.0015 0.0259 0.045
Brugia malayi steroid hormone receptor 0.001 0.0127 0.0221
Onchocerca volvulus 0.0028 0.0587 0.2017
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Trichomonas vaginalis antibiotic synthetase, putative 0.0035 0.0764 0.9388
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0035 0.0764 0.2636
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0127 0.0221
Echinococcus multilocularis carboxylesterase 5A 0.0131 0.3157 0.3157
Loa Loa (eye worm) intermediate filament protein 0.0053 0.12 0.2085
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0127 0.0127
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0659 0.0659
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0035 0.0764 0.2636
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0127 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0127 0.0221
Loa Loa (eye worm) hypothetical protein 0.0031 0.0659 0.1146
Loa Loa (eye worm) hypothetical protein 0.0022 0.0431 0.0749
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0814 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0035 0.0764 0.1328
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0005 0 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0814 0.2807
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0022 0.0431 0.1486
Onchocerca volvulus 0.0035 0.0764 0.2624
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Onchocerca volvulus 0.0053 0.12 0.412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0127 0.0221
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0022 0.0431 0.5294
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0814 0.2807
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1384 0.1384
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0127 0.0221
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0035 0.0764 0.2636
Toxoplasma gondii propionate-CoA ligase 0.0035 0.0764 0.6248
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.2322 0.2322
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.2322 0.2322
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0053 0.0053
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0127 0.0221
Schistosoma mansoni inositol monophosphatase 0.0037 0.0814 0.0814
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0022 0.0431 0.0431
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0659 0.1146
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0121 0.29 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.2322 0.2322
Loa Loa (eye worm) hypothetical protein 0.0022 0.0431 0.0749
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Echinococcus granulosus intermediate filament protein 0.0053 0.12 0.12
Onchocerca volvulus 0.0022 0.0431 0.148
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0127 0.0436
Loa Loa (eye worm) hypothetical protein 0.0035 0.0764 0.1328
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0097 0.0097
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0259 0.0259
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0259 0.3181
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0035 0.0764 0.6248
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0127 0.0127
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0259 0.0259
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0121 0.29 1
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0031 0.0641 0.221
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0659 0.0659
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0038 0.0463
Echinococcus multilocularis BC026374 protein (S09 family) 0.0022 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0005 0.0009 0.0015
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0097 0.0097
Brugia malayi ecdysteroid receptor 0.001 0.0127 0.0221
Schistosoma mansoni cpg binding protein 0.0028 0.0587 0.0587
Leishmania major 4-coumarate:coa ligase-like protein 0.0121 0.29 1
Echinococcus granulosus cpg binding protein 0.003 0.0628 0.0628
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0035 0.0764 0.1328
Loa Loa (eye worm) carboxylesterase 0.0131 0.3157 0.5486
Entamoeba histolytica acyl-CoA synthetase, putative 0.0121 0.29 1
Echinococcus granulosus carboxylesterase 5A 0.0131 0.3157 0.3157
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0764 0.2636
Mycobacterium ulcerans acyl-CoA synthetase 0.0035 0.0764 0.2636
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0259 0.2117
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.2322 0.4034
Brugia malayi AMP-binding enzyme family protein 0.0035 0.0764 0.1328
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0127 0.0221
Brugia malayi Carboxylesterase family protein 0.0131 0.3157 0.5486
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0127 0.0127
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0121 0.29 1
Loa Loa (eye worm) hypothetical protein 0.009 0.2136 0.3711
Brugia malayi Carboxylesterase family protein 0.0022 0.0431 0.0749
Brugia malayi nuclear hormone receptor 0.001 0.0127 0.0221
Leishmania major acetyl-CoA synthetase, putative 0.0035 0.0764 0.2636
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.2322 0.2322
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0038 0.0463
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0814 0.2807
Schistosoma mansoni thyroid hormone receptor 0.001 0.0127 0.0127
Onchocerca volvulus 0.0022 0.0431 0.148
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0814 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.12 0.2085
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0085 0.2012 0.6939
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0127 0.0127
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0127 0.0127
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0053 0.0053
Echinococcus granulosus FTZ F1 alpha 0.001 0.0127 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0127 0.0221
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0035 0.0764 0.3579
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0035 0.0764 0.9388
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0659 0.0659
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0009 0.0009
Onchocerca volvulus 0.0022 0.0431 0.148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0038 0.0463
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0127 0.0221
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.009 0.2136 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0025 0.0515 0.0515
Mycobacterium tuberculosis Carboxylesterase LipT 0.0022 0.0431 0.1486
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0035 0.0764 0.2636
Giardia lamblia Hypothetical protein 0.0005 0 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0035 0.0764 0.2636
Brugia malayi AMP-binding enzyme family protein 0.0121 0.29 0.5039
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0716 0.2468
Onchocerca volvulus 0.0035 0.0764 0.2624
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0022 0.0431 0.0749
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0259 0.0893
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0127 0.0127
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0005 0 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0814 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0221
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0035 0.0764 0.2636
Schistosoma mansoni BC026374 protein (S09 family) 0.0022 0.0431 0.0431
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.235 0.4084
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0121 0.29 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0097 0.0168
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0038 0.0463
Schistosoma mansoni acetylcholinesterase 0.0022 0.0431 0.0431
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0127 0.0221
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0035 0.0764 0.2636

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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