Detailed information for compound 1241634

Basic information

Technical information
  • TDR Targets ID: 1241634
  • Name: ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-phe nyl-1-benzofuran-3-carboxylate
  • MW: 339.385 | Formula: C20H21NO4
  • H donors: 1 H acceptors: 2 LogP: 3.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(oc2c1c(CN(C)C)c(cc2)O)c1ccccc1
  • InChi: 1S/C20H21NO4/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13/h5-11,22H,4,12H2,1-3H3
  • InChiKey: JXUHSUSCLWIKEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-(dimethylaminomethyl)-5-hydroxy-2-phenyl-benzofuran-3-carboxylate
  • 4-(dimethylaminomethyl)-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester
  • 4-(dimethylaminomethyl)-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester
  • CBDivE_006197
  • Benzofurane-3-carboxylic acid, 5-hydroxy-4-dimethylaminomethyl-2-phenyl-, ethyl ester
  • MLS000530192
  • A1033/0048386
  • Ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
  • AG-690/36631014
  • Oprea1_511235
  • SMR000135169
  • IFLab1_001063
  • IDI1_008930

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis antibiotic synthetase, putative 0.0032 0.0315 0.4096
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0032 0.0315 0.0223
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0116 0.0122
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0032 0.0315 0.2763
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0504 0.0516
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0032 0.0315 0.0319
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0032 0.0315 0.0212
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0609 0.9497 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0212
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0106 0.011
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0504 0.0425
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0504 0.7787
Loa Loa (eye worm) hypothetical protein 0.0043 0.0504 0.0403
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0032 0.0315 0.0212
Schistosoma mansoni hypothetical protein 0.0036 0.0382 0.0388
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0618 0.065
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0618 0.0518
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0032 0.0315 0.0319
Entamoeba histolytica hypothetical protein 0.0036 0.0382 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0032 0.0315 0.7583
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0618 1
Brugia malayi beta-lactamase 0.0043 0.0504 0.0414
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0116 0.0141
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0504 0.0425
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0032 0.0315 0.0223
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0106 0.0011
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0609 0.9497 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0504 0.7787
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0116 0.0112
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0865 0.089
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0865 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0504 0.0425
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0618 1
Entamoeba histolytica hypothetical protein 0.0036 0.0382 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0618 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0504 0.0403
Leishmania major fatty acid transporter protein-like protein 0.0609 0.9497 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.0315 0.0223
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0382 0.0388
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0032 0.0315 0.0212
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.077 0.0682
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0116 0.0111
Brugia malayi AMP-binding enzyme family protein 0.0032 0.0315 0.0223
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Loa Loa (eye worm) AMP-binding enzyme family protein 0.064 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0032 0.0315 0.0212
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0032 0.0315 0.0212
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0032 0.0315 0.0212
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0032 0.0315 0.2763
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0116 0.0268
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0504 0.0516
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0116 0.0021
Mycobacterium tuberculosis Conserved protein 0.0043 0.0504 0.0425
Leishmania major acetyl-CoA synthetase, putative 0.0032 0.0315 0.0332
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Brugia malayi isocitrate dehydrogenase 0.0019 0.0116 0.0022
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.0315 0.0223
Schistosoma mansoni ap endonuclease 0.0018 0.0106 0.0101
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0504 0.0516
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0032 0.0315 0.0212
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0617 0.9626 1
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0865 0.089
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.0315 0.0223
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0618 0.0633
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.4232 0.4393
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0618 0.6745
Echinococcus multilocularis GPCR, family 2 0.0019 0.0116 0.0111
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0116 0.0112
Leishmania major hypothetical protein, conserved 0.0043 0.0504 0.0531
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0116 0.051
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0116 0.0111
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0618 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0504 0.7787
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0617 0.9626 1
Echinococcus granulosus neuropeptide s receptor 0.0453 0.7012 0.7283
Loa Loa (eye worm) hypothetical protein 0.0043 0.0504 0.0403
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0032 0.0315 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0116 0.0209
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0865 0.0767
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0032 0.0315 0.0223
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0382 0.0388
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0106 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.077 0.0672
Onchocerca volvulus 0.0043 0.0504 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0249 0.281
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0032 0.0315 0.0332
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0116 0.0011
Brugia malayi beta-lactamase family protein 0.0043 0.0504 0.0414
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.001
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0865 0.089
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0504 0.0425
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.0315 0.0223
Toxoplasma gondii propionate-CoA ligase 0.0032 0.0315 0.2763
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0504 0.0403
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0106 0.0111
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0691 0.0592
Schistosoma mansoni hypothetical protein 0.0019 0.0116 0.0111
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0032 0.0315 0.0223
Leishmania major hypothetical protein, conserved 0.0027 0.0249 0.0263
Leishmania major 4-coumarate:coa ligase-like protein 0.0032 0.0315 0.0332
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0032 0.0315 0.0223
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0618 0.0642
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0032 0.0315 0.0223
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0116 0.001
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0504 0.0206
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0504 0.0425
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0106 0.0101
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0032 0.0315 0.0328
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0249 0.1896
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0249 0.3609
Brugia malayi AMP-binding enzyme family protein 0.0032 0.0315 0.0223
Brugia malayi AMP-binding enzyme family protein 0.0032 0.0315 0.0223
Echinococcus granulosus long chain fatty acid transport protein 4 0.0617 0.9626 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0691 0.071
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0032 0.0315 0.0212
Entamoeba histolytica acyl-CoA synthetase, putative 0.0032 0.0315 0.7583
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0618 0.0633
Leishmania major 4-coumarate:coa ligase-like protein 0.0032 0.0315 0.0332
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0032 0.0315 0.0212
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0504 0.7787
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0618 0.0642
Schistosoma mansoni hypothetical protein 0.0019 0.0116 0.0111
Mycobacterium leprae Probable lipase LipE 0.0043 0.0504 0.0206
Brugia malayi hypothetical protein 0.0027 0.0249 0.0156
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0865 0.089
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0116 0.0112
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0212
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0618 0.065
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0212
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0116 0.0011
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0504 0.0403
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0618 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0504 0.0524
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0187 0.0087
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0865 0.0767
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0249 0.0259
Brugia malayi AMP-binding enzyme family protein 0.0032 0.0315 0.0223
Echinococcus multilocularis neuropeptide receptor A26 0.0453 0.7012 0.7283
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0032 0.0315 0.0223
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0106 0.011
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0865 0.0767
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0691 0.071
Schistosoma mansoni hypothetical protein 0.0019 0.0116 0.0111
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.064 1 1
Mycobacterium ulcerans acetyl-CoA synthetase 0.0032 0.0315 0.0212
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0032 0.0315 0.0223
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0467 0.0376
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0865 0.0911
Trichomonas vaginalis esterase, putative 0.0043 0.0504 0.7787
Echinococcus multilocularis neuropeptide s receptor 0.0453 0.7012 0.7283
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0504 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0382 0.0388
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0691 0.071
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0116 0.0112
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0116 0.0121
Toxoplasma gondii ABC1 family protein 0.0043 0.0504 0.5253
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0116 0.0112
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0116 0.0022
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0504 0.7787
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.077 0.0682
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0116 0.0112
Brugia malayi AMP-binding enzyme family protein 0.0032 0.0315 0.0223
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0504 0.0425
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0212
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0691 0.071
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0865 0.0808
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0032 0.0315 0.4096
Entamoeba histolytica hypothetical protein 0.0036 0.0382 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0032 0.0315 0.4096
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0504 0.7787
Loa Loa (eye worm) hypothetical protein 0.0043 0.0504 0.0403
Loa Loa (eye worm) beta-lactamase 0.0043 0.0504 0.0403
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0032 0.0315 0.7583
Brugia malayi MAP kinase sur-1 0.0051 0.0618 0.0528
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0106 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0382 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0618 0.0642
Mycobacterium ulcerans beta-lactamase 0.0043 0.0504 0.0403
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0618 0.0642
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0116 0.0141
Brugia malayi hypothetical protein 0.0036 0.0382 0.029
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0032 0.0315 0.0212
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0618 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0116 0.0209
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0032 0.0315 0.0223
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0032 0.0315 0.0212
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0106 0.0101
Schistosoma mansoni hypothetical protein 0.0041 0.0467 0.0477
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Loa Loa (eye worm) hypothetical protein 0.0043 0.0504 0.0403
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0618 0.0633
Loa Loa (eye worm) hypothetical protein 0.006 0.077 0.0672
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0116 0.0111
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0249 0.6862
Mycobacterium ulcerans hypothetical protein 0.0032 0.0315 0.0212
Entamoeba histolytica acyl-coA synthetase, putative 0.0032 0.0315 0.7583
Echinococcus granulosus GPCR family 2 0.0019 0.0116 0.0111
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0691 0.0602
Loa Loa (eye worm) hypothetical protein 0.0032 0.0315 0.0212
Brugia malayi AMP-binding enzyme family protein 0.0032 0.0315 0.0223
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0249 0.6862
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0504 0.0425
Schistosoma mansoni acetyl-CoA synthetase 0.0032 0.0315 0.0319
Leishmania major acetyl-CoA synthetase, putative 0.0032 0.0315 0.0332
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0691 0.071
Leishmania major 4-coumarate:coa ligase-like protein 0.0032 0.0315 0.0332
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0032 0.0315 0.0328
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0032 0.0315 0.0223
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0504 0.0425
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0116 0.0112
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0249 0.0259
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0032 0.0315 0.0328
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0032 0.0315 0.0212
Trypanosoma brucei protein kinase, putative 0.0051 0.0618 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0504 0.0516
Schistosoma mansoni ap endonuclease 0.0018 0.0106 0.0101
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0618 0.0633
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0116 0.0111
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0504 0.0403
Loa Loa (eye worm) hypothetical protein 0.0043 0.0504 0.0403
Mycobacterium ulcerans hypothetical protein 0.0043 0.0504 0.0403
Loa Loa (eye worm) oxidoreductase 0.0032 0.0315 0.0212
Schistosoma mansoni hypothetical protein 0.0019 0.0116 0.0111
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0032 0.0315 0.0328
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0116 0.0021
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Plasmodium vivax acetyl-CoA synthetase, putative 0.0032 0.0315 0.526
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0691 0.071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0691 0.071
Schistosoma mansoni FFA transport protein 0.0617 0.9626 1
Echinococcus granulosus neuropeptide receptor A26 0.0453 0.7012 0.7283
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0618 0.0633
Loa Loa (eye worm) hypothetical protein 0.0041 0.0467 0.0366
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Onchocerca volvulus 0.0043 0.0504 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0032 0.0315 0.0223
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0504 0.0414
Loa Loa (eye worm) hypothetical protein 0.0043 0.0504 0.0403
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0617 0.9626 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0504 0.0524
Brugia malayi beta-lactamase family protein 0.0043 0.0504 0.0414
Trichomonas vaginalis antibiotic synthetase, putative 0.0032 0.0315 0.4096
Mycobacterium tuberculosis Conserved protein 0.0043 0.0504 0.0425
Onchocerca volvulus 0.0043 0.0504 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0032 0.0315 0.0212
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0116 0.0121

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) = 2.2387 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
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.7865 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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.
 
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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