Detailed information for compound 1407902

Basic information

Technical information
  • TDR Targets ID: 1407902
  • Name: 6-amino-1,3-dimethyl-5-[2-(1-methyltetrazol-5 -yl)sulfanylacetyl]pyrimidine-2,4-dione
  • MW: 311.32 | Formula: C10H13N7O3S
  • H donors: 1 H acceptors: 6 LogP: -0.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(N)n(C)c(=O)n(c1=O)C)CSc1nnnn1C
  • InChi: 1S/C10H13N7O3S/c1-15-7(11)6(8(19)16(2)10(15)20)5(18)4-21-9-12-13-14-17(9)3/h4,11H2,1-3H3
  • InChiKey: CSMPAPLFSRCGDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-1,3-dimethyl-5-[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]pyrimidine-2,4-dione
  • 6-amino-1,3-dimethyl-5-[2-[(1-methyltetrazol-5-yl)thio]acetyl]pyrimidine-2,4-quinone
  • 6-amino-1,3-dimethyl-5-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]pyrimidine-2,4-dione
  • MLS000055082
  • SMR000066719
  • ZINC02646773
  • T5240031

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 multilocularis pyruvate kinase 0.057 0.7875 0.7872
Loa Loa (eye worm) beta-lactamase 0.0036 0.0425 0.0412
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0058 0.0045
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0812 0.0799
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0058 0.0045
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0058 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0812 0.0799
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0058 0.0045
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0302 0.4133 0.4129
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0251 0.0237
Toxoplasma gondii pyruvate kinase PyKII 0.037 0.5091 0.5085
Leishmania major pyruvate phosphate dikinase, putative 0.0302 0.4133 0.4125
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0302 0.4133 0.4129
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0014
Schistosoma mansoni transcription factor btf3 0.0035 0.041 0.0397
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0251 0.0237
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0058 0.0045
Brugia malayi pyruvate kinase, muscle isozyme 0.0152 0.204 0.2029
Echinococcus granulosus pyruvate kinase 0.037 0.5091 0.5085
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0425 0.0412
Schistosoma mansoni thyroid hormone receptor 0.001 0.0058 0.0045
Onchocerca volvulus 0.0024 0.0251 0.0237
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0685 0.0672
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0058 0.0045
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0058 0.0045
Brugia malayi beta-lactamase 0.0036 0.0425 0.0412
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0412
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0425 0.0412
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Mycobacterium tuberculosis Probable pyruvate, phosphate dikinase PpdK 0.0302 0.4133 0.4133
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.317 0.317
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0425 0.0418
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0251 0.0342
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0139 0.0125
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.1308 0.1297
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0058 0.0045
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0425 0.0425
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.1308 0.1297
Brugia malayi CXXC zinc finger family protein 0.0029 0.0322 0.0308
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0425 0.0425
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0041 0.0027
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0412
Schistosoma mansoni hypothetical protein 0.0041 0.0492 0.0478
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0014 0.0006
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0058 0.0045
Schistosoma mansoni nuclear hormone receptor 0.001 0.0058 0.0045
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0166 0.0152
Loa Loa (eye worm) hypothetical protein 0.01 0.1308 0.1297
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0058 0.0045
Mycobacterium ulcerans hypothetical protein 0.0024 0.0251 0.0237
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0302 0.4133 0.4129
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0251 0.0237
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.041 0.0397
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0058 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0058 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0058 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0058 0.0045
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0058 0.0045
Schistosoma mansoni cpg binding protein 0.0029 0.0322 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0058 0.0045
Onchocerca volvulus 0.0036 0.0425 0.0412
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0014 0.0014
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.1906 0.1895
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0058 0.0045
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0425 0.0412
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0251 0.0237
Plasmodium falciparum pyruvate kinase 2 0.037 0.5091 0.5085
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0014 0.0014
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0058 0.0045
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0014
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.1308 0.1297
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0014
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0014 0.0014
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0251 0.0237
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0058 0.0045
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0425 0.0418
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0425 0.0425
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0058 0.0045
Schistosoma mansoni hypothetical protein 0.0414 0.5703 0.5698
Toxoplasma gondii NAC domain-containing protein 0.0035 0.041 0.0397
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0058 0.0045
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0513 0.05
Entamoeba histolytica pyruvate kinase, putative 0.0503 0.6949 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0251 0.0237
Mycobacterium ulcerans hypothetical protein 0.0036 0.0425 0.0412
Echinococcus granulosus pyruvate kinase 0.037 0.5091 0.5085
Giardia lamblia Pyruvate kinase 0.037 0.5091 0.1633
Schistosoma mansoni hypothetical protein 0.0041 0.0492 0.0478
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0251 0.0237
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0251 0.0237
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0425 0.0412
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0425 0.0425
Loa Loa (eye worm) hypothetical protein 0.0018 0.0166 0.0152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0058 0.0045
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0513 0.05
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0058 0.0045
Leishmania major basic transcription factor 3a, putative 0.0035 0.041 0.0397
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0251 0.0237
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0251 0.0342
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0812 0.0799
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0139 0.0125
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0058 0.0045
Wolbachia endosymbiont of Brugia malayi pyruvate phosphate dikinase 0.0302 0.4133 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0058 0.0045
Loa Loa (eye worm) hypothetical protein 0.0024 0.0251 0.0237
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0058 0.0045
Schistosoma mansoni cpg binding protein 0.0031 0.0345 0.0332
Brugia malayi nuclear hormone receptor 0.001 0.0058 0.0045
Toxoplasma gondii ABC1 family protein 0.0036 0.0425 0.0412
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.041 0.0403
Onchocerca volvulus 0.0036 0.0425 0.0412
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0302 0.4133 0.4129
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0425 0.0418
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0425 0.0425
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0139 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.041 0.0403
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0152 0.0152
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0166 0.0166
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0425 0.0418
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0058 0.0045
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0058 0.0045
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0058 0.0045
Echinococcus multilocularis expressed conserved protein 0.0094 0.1224 0.1212
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0425 0.0412
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0412
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0812 0.0799
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0014 0.0014
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0251 0.0237
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0139 0.0125
Brugia malayi beta-lactamase family protein 0.0036 0.0425 0.0412
Loa Loa (eye worm) pyruvate kinase-PB 0.0503 0.6949 0.6944
Loa Loa (eye worm) hypothetical protein 0.0018 0.0166 0.0152
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0513 0.05
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0251 0.0342
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0425 0.0425
Schistosoma mansoni thyroid hormone receptor 0.001 0.0058 0.0045
Echinococcus granulosus tar DNA binding protein 0.0064 0.0812 0.0799
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0016 0.0002
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0251 0.0237
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0302 0.4133 0.4129
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0302 0.4133 0.4129
Brugia malayi CHE-14 protein 0.0043 0.0513 0.05
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0251 0.0237
Loa Loa (eye worm) ICD-1 protein 0.0035 0.041 0.0397
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0058 0.0045
Treponema pallidum pyruvate phosphate dikinase 0.0302 0.4133 0.5
Onchocerca volvulus 0.0029 0.0322 0.0308
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0251 0.0251
Echinococcus granulosus pyruvate kinase 0.037 0.5091 0.5085
Trichomonas vaginalis esterase, putative 0.0036 0.0425 0.0418
Loa Loa (eye worm) pyruvate kinase 0.0152 0.204 0.2029
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0139 0.0125
Echinococcus granulosus FTZ F1 alpha 0.001 0.0058 0.0045
Onchocerca volvulus 0.0036 0.0425 0.0412
Schistosoma mansoni pyruvate kinase 0.037 0.5091 0.5085
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0139 0.0125
Plasmodium vivax pyruvate kinase 2, putative 0.037 0.5091 0.5085
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0322 0.0308
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.041 0.0397
Brugia malayi RNA binding protein 0.0064 0.0812 0.0799
Echinococcus granulosus expressed conserved protein 0.0094 0.1224 0.1212
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0058 0.0045
Schistosoma mansoni hypothetical protein 0.0041 0.0492 0.0478
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0812 0.0799
Brugia malayi pyruvate kinase 0.0152 0.204 0.2029
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0812 0.0799
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0139 0.0125
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0251 0.0237
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0058 0.0045
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0139 0.0125
Echinococcus multilocularis cpg binding protein 0.0031 0.0345 0.0332
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.041 0.0397
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0302 0.4133 0.4129
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0058 0.0045
Echinococcus granulosus dnaJ subfamily B 0.0414 0.5703 0.5698
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.041 0.0397
Echinococcus multilocularis dnaJ subfamily B 0.0414 0.5703 0.5698
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0812 0.0799
Echinococcus multilocularis protein dispatched 1 0.0049 0.0598 0.0585
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0058 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0812 0.0799
Trypanosoma cruzi pyruvate phosphate dikinase, putative 0.0302 0.4133 0.4125
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0425 0.0412
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0812 0.0799
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0058 0.0045
Brugia malayi isocitrate dehydrogenase 0.0016 0.0139 0.0125
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0152 0.0152
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0058 0.0045
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0302 0.4133 0.4129
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0425 0.0412
Leishmania major hypothetical protein, conserved 0.0036 0.0425 0.0412
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0058 0.0045
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0425 0.0412
Trichomonas vaginalis pyruvate, phosphate dikinase, chloroplast, putative 0.0302 0.4133 0.4129
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0513 0.05
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0014 0.0006
Brugia malayi beta-NAC-like protein 0.0035 0.041 0.0397
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0014
Brugia malayi TAR-binding protein 0.0064 0.0812 0.0799
Mycobacterium leprae Probable lipase LipE 0.0036 0.0425 0.0412
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0425 0.0412
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.133 0.1318
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0058 0.0045
Trypanosoma brucei pyruvate phosphate dikinase 0.0302 0.4133 0.4125
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0139 0.0125
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0412
Mycobacterium tuberculosis Conserved protein 0.0036 0.0425 0.0425
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0425 0.0412
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0412
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0139 0.0125
Echinococcus multilocularis pyruvate kinase 0.037 0.5091 0.5085
Echinococcus multilocularis pyruvate kinase 0.037 0.5091 0.5085
Schistosoma mansoni patched 1 0.0043 0.0513 0.05
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0139 0.0125
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0166 0.0152
Brugia malayi nuclear receptor NHR-88 0.001 0.0058 0.0045
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0039 0.0026
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0058 0.0045
Schistosoma mansoni hypothetical protein 0.0041 0.0492 0.0478
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0139 0.0139
Loa Loa (eye worm) RNA binding protein 0.0064 0.0812 0.0799
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0425 0.0425
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0058 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0058 0.0045
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0058 0.0045
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0058 0.0045
Echinococcus multilocularis transcription factor btf3 0.0035 0.041 0.0397
Schistosoma mansoni coup transcription factor 0.001 0.0058 0.0045
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.041 0.0397
Brugia malayi ecdysteroid receptor 0.001 0.0058 0.0045
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.041 0.0571
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0166 0.0152
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0016 0.0002
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0152 0.0152
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0058 0.0045
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0058 0.0045
Mycobacterium ulcerans hypothetical protein 0.0302 0.4133 0.4125
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0058 0.0045
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0058 0.0045
Loa Loa (eye worm) hypothetical protein 0.0018 0.0166 0.0152
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0058 0.0045
Schistosoma mansoni cpg binding protein 0.0031 0.0345 0.0332
Echinococcus multilocularis pyruvate kinase 0.037 0.5091 0.5085
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0139 0.0125
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0777 0.0765
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0139 0.0125
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0052 0.0648 0.0635
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0058 0.0045
Loa Loa (eye worm) hypothetical protein 0.0024 0.0251 0.0237
Entamoeba histolytica pyruvate phosphate dikinase 0.0302 0.4133 0.5941
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0251 0.0237
Mycobacterium leprae PROBABLE PYRUVATE, PHOSPHATE DIKINASE PPDK 0.0302 0.4133 0.4125
Onchocerca volvulus 0.001 0.0058 0.0045
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0425 0.0418
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0513 0.0506
Mycobacterium tuberculosis Conserved protein 0.0036 0.0425 0.0425
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0027
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0058 0.0045
Trypanosoma cruzi pyruvate phosphate dikinase, putative 0.0302 0.4133 0.4125
Brugia malayi steroid hormone receptor 0.001 0.0058 0.0045
Loa Loa (eye worm) hypothetical protein 0.0018 0.0166 0.0152
Loa Loa (eye worm) hypothetical protein 0.0024 0.0251 0.0237
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0016 0.0002
Mycobacterium tuberculosis Conserved hypothetical protein 0.0302 0.4133 0.4133
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0425 0.0412
Echinococcus multilocularis protein patched 0.0043 0.0513 0.05
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Loa Loa (eye worm) hypothetical protein 0.001 0.0058 0.0045
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0016 0.0002
Mycobacterium ulcerans beta-lactamase 0.0036 0.0425 0.0412
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0058 0.0045
Mycobacterium ulcerans pyruvate phosphate dikinase 0.0302 0.4133 0.4125
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0139 0.0125
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.1308 0.1867
Brugia malayi beta-lactamase family protein 0.0036 0.0425 0.0412
Loa Loa (eye worm) hypothetical protein 0.0043 0.0513 0.05
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0425 0.0412
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0425 0.0412
Mycobacterium tuberculosis Conserved protein 0.0036 0.0425 0.0425
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0058 0.0045
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0139 0.0125
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0139 0.0125
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0058 0.0045
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0016 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.041 0.0403
Mycobacterium ulcerans lipase LipD 0.0036 0.0425 0.0412
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0014 0.0014
Chlamydia trachomatis PTS system PEP phosphotransferase 0.0302 0.4133 0.4034
Loa Loa (eye worm) hypothetical protein 0.0036 0.0425 0.0412
Echinococcus granulosus cpg binding protein 0.0031 0.0345 0.0332
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.1906 0.1895
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0251 0.0237
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0139 0.0125
Entamoeba histolytica hypothetical protein 0.0035 0.041 0.0571
Loa Loa (eye worm) hypothetical protein 0.0018 0.0166 0.0152
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0503 0.6949 0.6944
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0139 0.0125
Echinococcus granulosus transcription factor btf3 0.0035 0.041 0.0397
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0218 0.2967 0.2957
Trichomonas vaginalis phosphoenolpyruvate-protein phosphotransferase, putative 0.0302 0.4133 0.4129

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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