Detailed information for compound 1355467

Basic information

Technical information
  • TDR Targets ID: 1355467
  • Name: 2-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)-3, 4-dihydro-1H-isoquinoline-3-carboxamide
  • MW: 425.458 | Formula: C21H19N3O5S
  • H donors: 2 H acceptors: 4 LogP: 1.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1Cc2ccccc2CN1C(=O)c1ccco1)Nc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C21H19N3O5S/c22-30(27,28)17-9-7-16(8-10-17)23-20(25)18-12-14-4-1-2-5-15(14)13-24(18)21(26)19-6-3-11-29-19/h1-11,18H,12-13H2,(H,23,25)(H2,22,27,28)
  • InChiKey: COAMXIDSUAIWJL-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 2-(2-furyl-oxomethyl)-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
  • 2-furan-2-ylcarbonyl-N-(4-sulfamoylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
  • T5355600

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens phosphatidylinositol-5-phosphate 4-kinase, type II, alpha Starlite/ChEMBL No references
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131617 All targets in OG5_131617
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) pip kinase 2 Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K00889 1-phosphatidylinositol-4-phosphate 5-kinase [EC2.7.1.68], putative Get druggable targets OG5_131617 All targets in OG5_131617
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Pip kinase protein 2 Get druggable targets OG5_131617 All targets in OG5_131617
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Onchocerca volvulus Get druggable targets OG5_131617 All targets in OG5_131617
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha phosphatidylinositol-5-phosphate 4-kinase, type II, alpha 406 aa 341 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0113 0.0253 0.0217
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0278 0.0769 0.0769
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0437 0.1268 0.3304
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0045 0.0045
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0113 0.0253 0.0243
Brugia malayi 6-phosphofructokinase 0.0131 0.031 0.0276
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0113 0.0253 0.0347
Trypanosoma cruzi acetyl-CoA carboxylase 0.1998 0.6153 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0437 0.1268 0.3304
Echinococcus multilocularis dna polymerase eta 0.0077 0.0142 0.0097
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0278 0.0769 0.1191
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0437 0.1268 0.2905
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0437 0.1268 0.1228
Brugia malayi Carboxyl transferase domain containing protein 0.3114 0.9646 1
Leishmania major DNA polymerase kappa, putative 0.0047 0.0045 0.0004
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.0045 0.0004
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0113 0.0253 0.0213
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0113 0.0253 0.0213
Schistosoma mansoni acetyl-CoA carboxylase 0.3227 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0142 0.01
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.0514 0.0471
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.0514 0.0471
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Chlamydia trachomatis biotin carboxylase 0.1116 0.3393 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0582 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0253 0.0217
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1229 0.3747 0.6063
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0437 0.1268 0.2008
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0045 0.0007
Brugia malayi N-terminal motif family protein 0.0218 0.0582 0.0559
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0113 0.0253 0.0347
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0437 0.1268 0.1228
Chlamydia trachomatis dihydrolipoamide acetyltransferase 0.0113 0.0253 0.0718
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0113 0.0253 0.0209
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1229 0.3747 0.3718
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.031 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.031 0.0266
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0113 0.0253 0.0347
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0278 0.0769 0.0727
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0113 0.0253 0.0337
Mycobacterium ulcerans pyruvate carboxylase 0.1229 0.3747 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.031 0.0441
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0113 0.0253 0.0562
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0437 0.1268 0.2905
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.031 0.0276
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0437 0.1268 0.3304
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0113 0.0253 0.0243
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.031 0.0266
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0437 0.1268 0.1232
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0278 0.0769 0.0727
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.031 0.0716
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1229 0.3747 0.3747
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0045 0.0007
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0113 0.0253 0.0209
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0113 0.0253 0.0337
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0113 0.0253 0.0337
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.031 1
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0437 0.1268 0.2905
Echinococcus multilocularis Biotin lipoyl attachment 0.0113 0.0253 0.0209
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.031 0.1861
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0437 0.1268 0.1259
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0437 0.1268 0.3304
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0113 0.0253 0.0562
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0045 0.0045
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0113 0.0253 0.0337
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.3227 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0142 0.01
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.031 0.1861
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.031 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.3114 0.9646 1
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0113 0.0253 0.0209
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0437 0.1268 0.3304
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0437 0.1268 0.2008
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1229 0.3747 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1229 0.3747 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0582 0.0559
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0113 0.0253 0.0253
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0045 0.0007
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0113 0.0253 0.0337
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0278 0.0769 0.1054
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1229 0.3747 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0045 0.0007
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0113 0.0253 0.0347
Loa Loa (eye worm) phosphofructokinase 0.0131 0.031 0.0276
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.0514 0.0471
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0437 0.1268 0.1268
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Brugia malayi 6-phosphofructokinase 0.0131 0.031 0.0276
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1229 0.3747 0.3718
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0113 0.0253 0.0562
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1229 0.3747 0.3718
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0113 0.0253 0.0217
Entamoeba histolytica acetyl-coA carboxylase, putative 0.055 0.1622 1
Leishmania major DNA polymerase eta, putative 0.0077 0.0142 0.0101
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0437 0.1268 0.2905
Leishmania major carbamoyl-phosphate synthase, putative 0.0278 0.0769 0.0731
Echinococcus granulosus dna polymerase eta 0.0077 0.0142 0.0097
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0113 0.0253 0.0209
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0041 0.0031
Trypanosoma brucei unspecified product 0.0808 0.2429 0.2429
Toxoplasma gondii carbamoylphosphate synthetase 0.0278 0.0769 0.0759
Chlamydia trachomatis acetyl-CoA carboxylase biotin carboxyl carrier protein 0.0113 0.0253 0.0718
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.031 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0278 0.0769 0.1191
Schistosoma mansoni pyruvate carboxylase 0.1229 0.3747 0.3718
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2335 0.7209 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1229 0.3747 0.6063
Schistosoma mansoni DNA polymerase eta 0.0077 0.0142 0.0097
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0278 0.0769 0.1476
Brugia malayi Pip kinase protein 2 0.0196 0.0514 0.0488
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0113 0.0253 0.0209
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0113 0.0253 0.0217
Loa Loa (eye worm) pip kinase 2 0.0196 0.0514 0.0488
Mycobacterium ulcerans hypothetical protein 0.0113 0.0253 0.0562
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.0514 0.0471
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0113 0.0253 0.0718
Plasmodium falciparum carbamoyl phosphate synthetase 0.0278 0.0769 0.1054
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.055 0.1622 1
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0196 0.0514 0.0488
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0113 0.0253 0.0347
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0113 0.0253 0.0209
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Treponema pallidum pyruvate carboxylase subunit B 0.0113 0.0253 0.8098
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.031 0.0716
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1229 0.3747 1
Trypanosoma brucei unspecified product 0.0047 0.0045 0.0045
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0113 0.0253 0.0253
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.0045 0.1164
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.3227 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.0253 0.0217
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0437 0.1268 0.1228
Loa Loa (eye worm) hypothetical protein 0.0113 0.0253 0.0217
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0437 0.1268 0.3304
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.031 0.031
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1229 0.3747 0.3747
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.031 0.027
Schistosoma mansoni aspartate carbamoyltransferase 0.0278 0.0769 0.0727
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.0142 0.0165
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0113 0.0253 0.0213
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1229 0.3747 0.3721
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2335 0.7209 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0437 0.1268 0.2008
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.031 1
Toxoplasma gondii pyruvate carboxylase 0.1229 0.3747 0.374
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0113 0.0253 0.0562
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0113 0.0253 0.0243
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0437 0.1268 0.3304
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0113 0.0253 0.0347
Giardia lamblia DINP protein human, muc B family 0.0047 0.0045 0.0217
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.3227 1 1
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0113 0.0253 0.0562
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.031 0.0266
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.031 0.0266
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0437 0.1268 0.1232
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0113 0.0253 0.0253
Trypanosoma brucei acetyl-CoA carboxylase 0.3227 1 1
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0113 0.0253 0.0243
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0113 0.0253 0.0718
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.0045 0.1164
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1229 0.3747 1
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0113 0.0253 0.0213
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.031 0.0276
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.031 0.1861
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0113 0.0253 0.0253
Leishmania major acetyl-CoA carboxylase, putative 0.3227 1 1
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0278 0.0769 0.1955
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.0142 0.0142
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.031 0.0163
Brugia malayi phosphofructokinase 0.0131 0.031 0.0276
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0113 0.0253 0.0243
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1229 0.3747 1
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0113 0.0253 0.0347
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0437 0.1268 0.3718
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.0045 0.0217
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0113 0.0253 0.0209
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1229 0.3747 0.3718
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1229 0.3747 1
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0113 0.0253 0.0209
Leishmania major carboxylase, putative 0.1229 0.3747 0.3721
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0045 0.0045
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0437 0.1268 0.3304
Echinococcus granulosus Biotin lipoyl attachment 0.0113 0.0253 0.0209

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.064 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
Potency (functional) 0.2512 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) 10 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of PI5P4K: Confirmation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.9441 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 47.4436 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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