Detailed information for compound 581557

Basic information

Technical information
  • TDR Targets ID: 581557
  • Name: dimethyl but-2-ynedioate
  • MW: 142.109 | Formula: C6H6O4
  • H donors: 0 H acceptors: 2 LogP: 0.8 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C#CC(=O)OC
  • InChi: 1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
  • InChiKey: VHILMKFSCRWWIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-butynedioic acid dimethyl ester
  • but-2-ynedioic acid dimethyl ester
  • acetylenedicarboxylic acid dimethyl ester
  • 762-42-5
  • InChI=1/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H
  • 1,2-Bis(methoxycarbonyl)ethyne
  • 4-02-00-02291 (Beilstein Handbook Reference)
  • Acetylenedicarboxylic acid, dimethyl ester (8CI)
  • BRN 0607063
  • DIMETHYL ACETYLENE DICARBOXYLATE ESTER
  • Di(carbomethoxy)acetylene
  • Dimethyl acetylenedicarboxylic acid
  • Dimethyl ethynedicarboxylate
  • EINECS 212-098-4
  • NSC 14912
  • D138401_ALDRICH
  • AIDS208598
  • 1,2-Bis(methoxycarbonyl)acetylene
  • 2-Butynedioic acid, dimethyl ester
  • Acetylenedicarboxylic acid, dimethyl ester
  • Bis(methoxycarbonyl)acetylene
  • Dimethyl 2-butynedioate
  • Dimethyl acetylenedicarboxylate
  • Dimethyl butynedioate
  • Methyl acetylenedicarboxylate
  • NSC14912
  • WLN: 1OV1UU1VO1
  • NCGC00165984-01
  • ZINC01653258
  • AIDS-208598
  • 01110_FLUKA

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
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0907 0.1029
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0039 0.0678 0.7082
Mycobacterium leprae Probable lipase LipE 0.0072 0.1396 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0133 0.008
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0573 0.0643
Echinococcus multilocularis thyroid hormone receptor alpha 0.0073 0.144 0.1645
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0073 0.144 0.1542
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0073 0.144 0.1645
Brugia malayi nuclear hormone receptor family member nhr-6 0.0035 0.0573 0.1211
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.3225 0.6965
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0046 0.0834 0.4878
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.0133 0.008
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.3014 0.652
Trypanosoma brucei glucosidase, putative 0.004 0.0695 0.4492
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.1396 0.1289
Echinococcus multilocularis cpg binding protein 0.0029 0.0458 0.0509
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.0573 0.0643
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0069 0.1337 0.1526
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1396 1
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0323 0.0699
Loa Loa (eye worm) inositol-1 0.0038 0.0653 0.1414
Brugia malayi nuclear receptor RXR 0.0039 0.0666 0.1412
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0323 0.1571
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1396 0.1491
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0073 0.144 0.1645
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1337 0.9531
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0039 0.0678 0.3454
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0653 0.926
Brugia malayi hypothetical protein 0.0022 0.0299 0.0616
Echinococcus granulosus nuclear receptor nhr 48 0.0035 0.0573 0.0643
Schistosoma mansoni hypothetical protein 0.0105 0.2141 0.2363
Brugia malayi nuclear hormone receptor family member odr-7 0.0035 0.0573 0.1211
Brugia malayi Pre-SET motif family protein 0.0032 0.0503 0.1059
Loa Loa (eye worm) hypothetical protein 0.0072 0.1396 0.3021
Loa Loa (eye worm) doublecortin family protein 0.0022 0.0299 0.0647
Schistosoma mansoni alpha-glucosidase 0.0156 0.3272 0.3688
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0884 0.1002
Onchocerca volvulus 0.0246 0.5288 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0695 0.109
Schistosoma mansoni thyroid hormone receptor 0.0073 0.144 0.1542
Brugia malayi Nuclear hormone receptor E75 0.0035 0.0573 0.1211
Onchocerca volvulus 0.0028 0.0422 0.056
Loa Loa (eye worm) cytochrome P450 0.0014 0.0123 0.0266
Leishmania major glycosyl hydrolase-like protein 0.0015 0.0133 0.008
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0073 0.144 0.2534
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0039 0.0666 0.1441
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0422 0.0913
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.3014 0.6508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0073 0.144 0.3114
Loa Loa (eye worm) hypothetical protein 0.0039 0.0666 0.1441
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0073 0.144 0.1542
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0063 0.1197 0.1364
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0073 0.144 0.1645
Schistosoma mansoni tar DNA-binding protein 0.0199 0.4243 0.4826
Onchocerca volvulus 0.0022 0.0299 0.0321
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0073 0.144 0.3114
Loa Loa (eye worm) hypothetical protein 0.0049 0.0884 0.1911
Echinococcus granulosus cytochrome P450 2K1 0.0014 0.0123 0.0122
Schistosoma mansoni rab6-interacting 0.0022 0.0299 0.0206
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.1396 0.1289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0073 0.144 0.3114
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0695 0.4492
Loa Loa (eye worm) hypothetical protein 0.0039 0.0678 0.1467
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Brugia malayi MH2 domain containing protein 0.0122 0.2526 0.5449
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0073 0.144 0.3091
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0884 0.1884
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0884 0.1002
Echinococcus granulosus FTZ F1 alpha 0.0073 0.144 0.1645
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0503 0.0445
Brugia malayi hypothetical protein 0.0039 0.0666 0.1412
Brugia malayi Glycosyl hydrolases family 31 protein 0.0181 0.3834 0.8287
Loa Loa (eye worm) nuclear hormone receptor 0.0035 0.0573 0.124
Loa Loa (eye worm) nuclear receptor NHR-67 0.0035 0.0573 0.124
Loa Loa (eye worm) hypothetical protein 0.0072 0.1396 0.3021
Schistosoma mansoni loxhd1 0.0022 0.0299 0.0206
Loa Loa (eye worm) steroid hormone receptor 0.0073 0.144 0.3114
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0666 0.1412
Onchocerca volvulus 0.0022 0.0299 0.0321
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.1396 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0884 0.1002
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0073 0.144 0.1645
Schistosoma mansoni tar DNA-binding protein 0.0199 0.4243 0.4826
Schistosoma mansoni lipoxygenase 0.0063 0.1197 0.1258
Leishmania major hypothetical protein, conserved 0.0072 0.1396 1
Echinococcus granulosus cpg binding protein 0.0029 0.0458 0.0509
Loa Loa (eye worm) hypothetical protein 0.0072 0.1396 0.3021
Schistosoma mansoni cpg binding protein 0.0029 0.0458 0.0392
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0695 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.2141 0.4631
Mycobacterium tuberculosis Conserved protein 0.0072 0.1396 0.1289
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1396 0.2451
Brugia malayi Inositol-1 0.0038 0.0653 0.1385
Brugia malayi hypothetical protein 0.0035 0.0573 0.1211
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0907 0.6156
Echinococcus granulosus geminin 0.0192 0.4089 0.471
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.4623 1
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0323 0.1571
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0039 0.0666 0.075
Brugia malayi steroid hormone receptor 0.0073 0.144 0.3091
Brugia malayi TAR-binding protein 0.0199 0.4243 0.9176
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0573 0.0643
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0695 0.4492
Brugia malayi nuclear receptor NHR-88 0.0035 0.0573 0.1211
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0695 0.0784
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0695 0.4492
Echinococcus multilocularis dnaJ subfamily B 0.0397 0.8662 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0907 0.6156
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0073 0.144 0.1645
Schistosoma mansoni polycystin 1-related 0.0022 0.0299 0.0206
Schistosoma mansoni cpg binding protein 0.0029 0.0458 0.0392
Onchocerca volvulus 0.0072 0.1396 0.2451
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0653 0.1009
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0695 0.109
Brugia malayi photoreceptor-specific nuclear receptor 0.0073 0.144 0.3091
Echinococcus multilocularis nuclear receptor nhr 48 0.0035 0.0573 0.0643
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1004 0.6919
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.1396 0.1595
Schistosoma mansoni inositol monophosphatase 0.0038 0.0653 0.0621
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0653 0.4165
Schistosoma mansoni nuclear receptor nhr-48 0.0035 0.0573 0.0527
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0695 0.109
Echinococcus granulosus GPCR family 2 0.0049 0.0884 0.1002
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0299 0.0325
Schistosoma mansoni rab6-interacting 0.0022 0.0299 0.0206
Brugia malayi hypothetical protein 0.0036 0.0593 0.1253
Echinococcus granulosus tar DNA binding protein 0.0199 0.4243 0.4889
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0907 0.6156
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0073 0.144 0.3091
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0073 0.144 0.3091
Loa Loa (eye worm) beta-lactamase 0.0072 0.1396 0.3021
Schistosoma mansoni alpha-glucosidase 0.0156 0.3272 0.3688
Brugia malayi hypothetical protein 0.0036 0.0593 0.1253
Schistosoma mansoni retinoic acid receptor RXR 0.0073 0.144 0.1542
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0464 0.0517
Echinococcus multilocularis RUN 0.0022 0.0299 0.0325
Schistosoma mansoni coup transcription factor 0.0073 0.144 0.1542
Trichomonas vaginalis esterase, putative 0.0072 0.1396 0.2451
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1396 0.2451
Brugia malayi hypothetical protein 0.0035 0.0573 0.1211
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0073 0.144 0.3091
Loa Loa (eye worm) hypothetical protein 0.0039 0.0666 0.1441
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.3225 0.6975
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1337 0.9531
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0073 0.144 0.3091
Toxoplasma gondii aldehyde dehydrogenase 0.0069 0.1337 0.9531
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0323 0.1571
Echinococcus granulosus lysosomal alpha glucosidase 0.0181 0.3834 0.4415
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1145 0.1197
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0039 0.0678 0.4358
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0046 0.0834 1
Brugia malayi hypothetical protein 0.0039 0.0666 0.1412
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0073 0.144 0.1542
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0069 0.1337 0.1229
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.1396 0.1289
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0503 0.0562
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.0573 0.0643
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0069 0.1337 0.1526
Schistosoma mansoni hypothetical protein 0.0397 0.8662 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1396 0.2451
Echinococcus granulosus Polycystic kidney disease protein 0.0022 0.0299 0.0325
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0073 0.144 0.1645
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0653 0.1009
Mycobacterium tuberculosis Conserved protein 0.0072 0.1396 0.1289
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0069 0.1337 0.9531
Schistosoma mansoni lipoxygenase 0.0022 0.0299 0.0206
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1337 0.1421
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0907 0.1962
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0573 0.0527
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.3834 0.4415
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Mycobacterium ulcerans lipase LipD 0.0072 0.1396 1
Brugia malayi nuclear hormone receptor 0.0073 0.144 0.3091
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0653 0.4165
Onchocerca volvulus 0.0072 0.1396 0.2451
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0073 0.144 0.1645
Schistosoma mansoni nuclear hormone receptor 0.0073 0.144 0.1542
Brugia malayi Nuclear hormone receptor-like 1 0.0039 0.0666 0.1412
Schistosoma mansoni steroid hormone receptor ad4bp 0.0073 0.144 0.1542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0073 0.144 0.3114
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0039 0.0678 0.0764
Schistosoma mansoni nuclear receptor 0.0035 0.0573 0.0527
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3014 0.3386
Mycobacterium tuberculosis Conserved protein 0.0072 0.1396 0.1289
Loa Loa (eye worm) hypothetical protein 0.0153 0.3225 0.6975
Schistosoma mansoni hypothetical protein 0.0049 0.0884 0.0891
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0073 0.144 0.1645
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.0133 0.008
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0695 0.109
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.1396 1
Toxoplasma gondii ABC1 family protein 0.0072 0.1396 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0666 0.1441
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0653 0.4165
Onchocerca volvulus Protein ultraspiracle homolog 0.0073 0.144 0.2534
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Echinococcus multilocularis FTZ F1 alpha 0.0073 0.144 0.1645
Onchocerca volvulus 0.0035 0.0573 0.0854
Echinococcus multilocularis expressed protein 0.0046 0.0834 0.0945
Brugia malayi Pre-SET motif family protein 0.0216 0.4623 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0073 0.144 0.1645
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0907 0.6156
Loa Loa (eye worm) hypothetical protein 0.0072 0.1396 0.3021
Onchocerca volvulus 0.0105 0.2133 0.388
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0907 0.6156
Loa Loa (eye worm) RNA binding protein 0.0199 0.4243 0.9179
Onchocerca volvulus 0.0035 0.0573 0.0854
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0907 0.1501
Brugia malayi hypothetical protein 0.0022 0.0299 0.0616
Brugia malayi ecdysone receptor 0.0035 0.0573 0.1211
Loa Loa (eye worm) hypothetical protein 0.0072 0.1396 0.3021
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0073 0.144 0.1645
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0907 0.1029
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.3834 0.4415
Schistosoma mansoni tar DNA-binding protein 0.0199 0.4243 0.4826
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.1396 0.3021
Schistosoma mansoni hypothetical protein 0.0192 0.4089 0.4645
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0046 0.0834 0.5585
Loa Loa (eye worm) histone methyltransferase 0.001 0.0018 0.0039
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0647
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Brugia malayi Nuclear hormone receptor-like 1 0.0073 0.144 0.3091
Mycobacterium ulcerans aldehyde dehydrogenase 0.0069 0.1337 0.9531
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.1396 0.1289
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0073 0.144 0.1542
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0653 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0653 0.0735
Schistosoma mansoni RAR-like nuclear receptor 0.0073 0.144 0.1542
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0503 0.0445
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0073 0.144 0.3091
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0695 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.1396 0.1595
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0035 0.0573 0.0643
Schistosoma mansoni hypothetical protein 0.0049 0.0884 0.0891
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0073 0.144 0.3091
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0073 0.144 0.3091
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0884 0.1002
Brugia malayi Cytochrome P450 family protein 0.0023 0.0323 0.0668
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0073 0.144 0.3091
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1396 0.2451
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0653 0.4165
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0907 0.1501
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0063 0.1197 0.1364
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0035 0.0573 0.1211
Echinococcus multilocularis 0.0014 0.0123 0.0122
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0653 0.0735
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0907 0.6156
Echinococcus granulosus thyroid hormone receptor alpha 0.0035 0.0573 0.0643
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Echinococcus multilocularis tar DNA binding protein 0.0199 0.4243 0.4889
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Mycobacterium leprae conserved hypothetical protein 0.0072 0.1396 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.1396 0.2997
Brugia malayi nuclear receptor NHR-67 0.0035 0.0573 0.1211
Loa Loa (eye worm) TAR-binding protein 0.0199 0.4243 0.9179
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.2526 0.5464
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0299 0.0325
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0039 0.0666 0.075
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0039 0.0666 0.0636
Schistosoma mansoni alpha glucosidase 0.004 0.0695 0.067
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0046 0.0834 0.1777
Brugia malayi Cytochrome P450 family protein 0.0023 0.0323 0.0668
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0073 0.144 0.3091
Echinococcus granulosus ecdysone induced protein 78C 0.0073 0.144 0.1645
Echinococcus granulosus expressed protein 0.0046 0.0834 0.0945
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.3014 0.3467
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0073 0.144 0.3114
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0503 0.2986
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0503 0.0445
Loa Loa (eye worm) hypothetical protein 0.0015 0.0133 0.0288
Brugia malayi nuclear hormone receptor 0.0035 0.0573 0.1211
Schistosoma mansoni zinc finger protein 0.0035 0.0573 0.0527
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3014 0.3386
Schistosoma mansoni thyroid hormone receptor 0.0073 0.144 0.1542
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0035 0.0573 0.0643
Schistosoma mansoni tar DNA-binding protein 0.0199 0.4243 0.4826
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0907 0.1501
Brugia malayi cytochrome P450 0.0014 0.0123 0.0234
Loa Loa (eye worm) hypothetical protein 0.0072 0.1396 0.3021
Schistosoma mansoni hypothetical protein 0.0192 0.4089 0.4645
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0073 0.144 0.3091
Schistosoma mansoni inositol monophosphatase 0.0038 0.0653 0.0621
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0073 0.144 0.1645
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0884 0.1884
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.0299 0.0325
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0039 0.0678 0.1438
Loa Loa (eye worm) hypothetical protein 0.0039 0.0666 0.1441
Brugia malayi beta-lactamase family protein 0.0072 0.1396 0.2997
Echinococcus granulosus Nuclear hormone receptor HR96 0.0035 0.0573 0.0643
Toxoplasma gondii TIM10 family protein, putative 0.0046 0.0834 0.5585
Echinococcus granulosus RUN 0.0022 0.0299 0.0325
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0573 0.0527
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0695 0.1503
Loa Loa (eye worm) hypothetical protein 0.0022 0.0299 0.0647
Echinococcus multilocularis geminin 0.0192 0.4089 0.471
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Leishmania major cytochrome p450-like protein 0.0023 0.0323 0.1571
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0035 0.0573 0.0527
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0035 0.0573 0.0527
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0695 0.109
Schistosoma mansoni tar DNA-binding protein 0.0199 0.4243 0.4826
Loa Loa (eye worm) hypothetical protein 0.0032 0.0503 0.1089
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.2526 0.5464
Brugia malayi Doublecortin family protein 0.0022 0.0299 0.0616
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Brugia malayi CXXC zinc finger family protein 0.0028 0.0422 0.0883
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0907 0.6156
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1396 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0907 0.6156
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0073 0.144 0.3114
Brugia malayi MAP kinase sur-1 0.005 0.0907 0.1935
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0073 0.144 0.3091
Schistosoma mansoni hypothetical protein 0.0049 0.0884 0.0891
Echinococcus granulosus dnaJ subfamily B 0.0397 0.8662 1
Onchocerca volvulus 0.0032 0.0503 0.0718
Schistosoma mansoni hypothetical protein 0.0022 0.0299 0.0206
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0503 0.0445
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0695 0.109
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0503 0.0562
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.3014 0.3467
Onchocerca volvulus 0.0072 0.1396 0.2451
Loa Loa (eye worm) DR-78 0.0035 0.0573 0.124
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.0133 0.0256
Brugia malayi tailless protein 0.0035 0.0573 0.1211
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0323 0.0699
Echinococcus multilocularis ecdysone induced protein 78C 0.0073 0.144 0.1645
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.2141 0.4614
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0046 0.0834 0.0833
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0073 0.144 0.1645
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0035 0.0573 0.0854
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0039 0.0678 0.1438
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0046 0.0834 0.1805
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0035 0.0573 0.0854
Mycobacterium ulcerans hypothetical protein 0.0072 0.1396 1
Schistosoma mansoni aldehyde dehydrogenase 0.0069 0.1337 0.1421
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.3014 0.3467
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0884 0.1911
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1396 0.1491
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.1396 0.1289
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0695 0.4492
Schistosoma mansoni cpg binding protein 0.0028 0.0422 0.035
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0907 0.0918
Onchocerca volvulus 0.0073 0.144 0.2534
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1396 0.2451
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0035 0.0573 0.0643
Plasmodium vivax SET domain protein, putative 0.0032 0.0503 0.1863
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0323 0.0699
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0695 0.109
Brugia malayi conserved hypotetical protein 0.0035 0.0573 0.1211
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Brugia malayi Cytochrome P450 family protein 0.0034 0.0559 0.118
Brugia malayi ecdysteroid receptor 0.0073 0.144 0.3091
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0695 0.109
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0653 0.1009
Schistosoma mansoni nuclear receptor 0.0035 0.0573 0.0527
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0073 0.144 0.1542
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0035 0.0573 0.0643
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0073 0.144 0.1542
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.1396 0.1289
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0695 0.1475
Brugia malayi nuclear receptor RXR 0.0035 0.0573 0.1211
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0073 0.144 0.1645
Brugia malayi nuclear receptor NHR-88 0.0073 0.144 0.3091
Brugia malayi Cytochrome P450 family protein 0.0014 0.0123 0.0234
Loa Loa (eye worm) hypothetical protein 0.0073 0.144 0.3114
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0503 0.0562
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0653 0.4165
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0199 0.4243 0.9179
Plasmodium vivax hypothetical protein, conserved 0.0072 0.1396 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0653 0.4165
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.0299 0.0325
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.3014 0.3467
Brugia malayi beta-lactamase family protein 0.0072 0.1396 0.2997
Brugia malayi beta-lactamase 0.0072 0.1396 0.2997
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0073 0.144 0.3091
Schistosoma mansoni hypothetical protein 0.0039 0.0678 0.065
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0035 0.0573 0.124
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0323 0.1571
Schistosoma mansoni hypothetical protein 0.0049 0.0884 0.0891
Trichomonas vaginalis set domain proteins, putative 0.0246 0.5288 1
Brugia malayi RNA binding protein 0.0199 0.4243 0.9176
Trypanosoma brucei protein kinase, putative 0.005 0.0907 0.6156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.3014 0.3386
Brugia malayi RNA recognition motif domain containing protein 0.0199 0.4243 0.9176
Mycobacterium ulcerans beta-lactamase 0.0072 0.1396 1
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0907 0.1029
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.3225 0.6965
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0907 0.1501
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0564 0.0446
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0907 0.1029
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.1396 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0039 0.0666 0.0636
Loa Loa (eye worm) hypothetical protein 0.0039 0.0666 0.1441
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0039 0.0678 0.1438
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Echinococcus multilocularis Polycystic kidney disease protein 0.0022 0.0299 0.0325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0073 0.144 0.3114
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0695 0.0784
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0559 0.1209
Echinococcus multilocularis GPCR, family 2 0.0049 0.0884 0.1002
Brugia malayi Steroid receptor seven-up type 2 0.0073 0.144 0.3091
Loa Loa (eye worm) hypothetical protein 0.0035 0.0573 0.124
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.1396 0.1289
Brugia malayi orphan nuclear receptor NR2E1 0.0035 0.0573 0.1211
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0695 0.109
Onchocerca volvulus Bile acid receptor homolog 0.0073 0.144 0.2534
Brugia malayi Nuclear hormone receptor E75 0.0035 0.0573 0.1211
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0564 0.3462
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0907 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0181 0.3834 0.8293

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) Antifungal activity against Candida albicans ATCC 10231 at <100 ug/ml at pH 5.6 after 5 days in absence of 10% beef serum ChEMBL. 321785
Inhibition (functional) Antifungal activity against Candida albicans ATCC 10231 at <100 ug/ml at pH 7 after 5 days in absence of 10% beef serum ChEMBL. 321785
Inhibition (functional) Antifungal activity against Candida albicans ATCC 10231 at <100 ug/ml at pH 5.6 after 5 days in presence of 10% beef serum ChEMBL. 321785
Inhibition (functional) Antifungal activity against Candida albicans ATCC 10231 at <100 ug/ml at pH 7 after 5 days in presence of 10% beef serum ChEMBL. 321785

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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