Detailed information for compound 1606764

Basic information

Technical information
  • TDR Targets ID: 1606764
  • Name: 4-[[2-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl) prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amin o]benzoic acid
  • MW: 416.772 | Formula: C18H13ClN4O6
  • H donors: 3 H acceptors: 6 LogP: 3.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cl/C(=C\c1ccc(cc1)[N+](=O)[O-])/C=N/NC(=O)C(=O)Nc1ccc(cc1)C(=O)O
  • InChi: 1S/C18H13ClN4O6/c19-13(9-11-1-7-15(8-2-11)23(28)29)10-20-22-17(25)16(24)21-14-5-3-12(4-6-14)18(26)27/h1-10H,(H,21,24)(H,22,25)(H,26,27)/b13-9-,20-10+
  • InChiKey: VAZSWYMUYICMRR-AXIITOQOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[2-[2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid
  • 4-[[2-[2-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxoacetyl]amino]benzoic acid
  • 4-[[2-[N'-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-2-oxo-acetyl]amino]benzoic acid
  • 4-[[2-[(N'E)-N'-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-2-oxo-acetyl]amino]benzoic acid
  • 4-[[2-[N'-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-2-oxo-acetyl]amino]benzoic acid
  • 4-[[2-[N'-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-1,2-dioxoethyl]amino]benzoic acid
  • 4-[[2-[(N'E)-N'-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-1,2-dioxoethyl]amino]benzoic acid
  • 4-[[2-[N'-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-1,2-dioxoethyl]amino]benzoic acid
  • 4-[[2-[N'-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-2-keto-acetyl]amino]benzoic acid
  • 4-[[2-[(N'E)-N'-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-2-keto-acetyl]amino]benzoic acid
  • 4-[[2-[N'-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazino]-2-keto-acetyl]amino]benzoic acid
  • 4-[[2-[2-[2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxo-ethanoyl]amino]benzoic acid
  • 4-[[2-[(2E)-2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxo-ethanoyl]amino]benzoic acid
  • 4-[[2-[2-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-2-oxo-ethanoyl]amino]benzoic acid
  • 4-{[(Z)-2-Chloro-3-(4-nitro-phenyl)-prop-2-en-(E)-ylidene-hydrazinooxalyl]-amino}-benzoic acid
  • MLS000777652
  • SMR000414046
  • STOCK1S-17855

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens geminin, DNA replication inhibitor 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 GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0996 0.1237 0.2905
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1254 0.1592 0.5
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0996 0.1237 0.1041
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0633 0.0736 0.0874
Schistosoma mansoni hypothetical protein 0.0205 0.0146 0.0049
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0996 0.1237 0.1117
Toxoplasma gondii carbamoylphosphate synthetase 0.0633 0.0736 0.0529
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.28 0.3725 0.3584
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.28 0.3725 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0996 0.1237 0.2905
Echinococcus granulosus Biotin lipoyl attachment 0.0258 0.0219 0.0085
Plasmodium falciparum carbamoyl phosphate synthetase 0.0633 0.0736 0.0742
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0258 0.0219 0.0227
Leishmania major carbamoyl-phosphate synthase, putative 0.0633 0.0736 0.0529
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.28 0.3725 0.3663
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0258 0.0219 0.0085
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0996 0.1237 0.1041
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.28 0.3725 0.3584
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0996 0.1237 0.1041
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0258 0.0219 0.0085
Echinococcus multilocularis snurportin 1 0.0372 0.0376 0.0245
Schistosoma mansoni hypothetical protein 0.0205 0.0146 0.0049
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0996 0.1237 0.3233
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0633 0.0736 0.1476
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0135 0.014
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0996 0.1237 0.2905
Trypanosoma brucei acetyl-CoA carboxylase 0.7352 1 1
Leishmania major acetyl-CoA carboxylase, putative 0.7352 1 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0996 0.1237 0.172
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.28 0.3725 1
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0258 0.0219 0.0123
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0633 0.0736 0.0874
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0258 0.0219 0.0123
Brugia malayi Carboxyl transferase domain containing protein 0.7095 0.9645 1
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0633 0.0736 0.0529
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0996 0.1237 0.2905
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0258 0.0219 0.0227
Trypanosoma brucei unspecified product 0.1841 0.2402 0.2232
Schistosoma mansoni hypothetical protein 0.0372 0.0376 0.0282
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.28 0.3725 0.3663
Treponema pallidum pyruvate carboxylase subunit B 0.0258 0.0219 0.5
Schistosoma mansoni pyruvate carboxylase 0.28 0.3725 0.3663
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.28 0.3725 0.3639
Echinococcus multilocularis Biotin lipoyl attachment 0.0258 0.0219 0.0085
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1012 0.089
Onchocerca volvulus 0.0114 0.002 0.5
Schistosoma mansoni aspartate carbamoyltransferase 0.0633 0.0736 0.0645
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0996 0.1237 0.2905
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0996 0.1237 0.172
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0258 0.0219 0.0085
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5321 0.7199 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0996 0.1237 0.1151
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0996 0.1237 0.172
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.28 0.3725 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0996 0.1237 0.2905
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0633 0.0736 0.0645
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.28 0.3725 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.4552 0.6139 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.28 0.3725 1
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.7352 1 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.28 0.3725 0.5922
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0633 0.0736 0.1476
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0633 0.0736 0.0742
Echinococcus granulosus geminin 0.0205 0.0146 0.0011
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0258 0.0219 0.0123
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.28 0.3725 0.3584
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.7095 0.9645 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0996 0.1237 0.2905
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1012 0.0924
Echinococcus granulosus snurportin 1 0.0372 0.0376 0.0245
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5321 0.7199 1
Loa Loa (eye worm) hypothetical protein 0.0258 0.0219 0.0088
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.28 0.3725 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0996 0.1237 0.1117
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.28 0.3725 0.3639
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0258 0.0219 0.0085
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.28 0.3725 0.5922
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0258 0.0219 0.0227
Schistosoma mansoni acetyl-CoA carboxylase 0.7352 1 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0996 0.1237 0.2905
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0633 0.0736 0.0645
Leishmania major carboxylase, putative 0.28 0.3725 0.3584
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0996 0.1237 0.2905
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0996 0.1237 0.2905
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0996 0.1237 0.1041
Toxoplasma gondii pyruvate carboxylase 0.28 0.3725 0.3584
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0996 0.1237 0.2905
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1254 0.1592 0.5
Echinococcus multilocularis geminin 0.0205 0.0146 0.0011
Loa Loa (eye worm) hypothetical protein 0.0258 0.0219 0.0088
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0258 0.0219 0.0123
Loa Loa (eye worm) hypothetical protein 0.0258 0.0219 0.0088
Chlamydia trachomatis biotin carboxylase 0.2543 0.3369 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.7352 1 1
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0996 0.1237 0.2905
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1012 0.089
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.7352 1 1
Mycobacterium ulcerans pyruvate carboxylase 0.28 0.3725 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0376 0.0254
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.28 0.3725 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 2.3109 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 8.2753 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) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 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. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (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 Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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