Detailed information for compound 1363323

Basic information

Technical information
  • TDR Targets ID: 1363323
  • Name: methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2- oxoethyl]-2-methylfuro[2,3-d]pyrrole-5-carbox ylate
  • MW: 352.384 | Formula: C20H20N2O4
  • H donors: 0 H acceptors: 2 LogP: 3.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2c(n1CC(=O)N1CCCc3c1cccc3)cc(o2)C
  • InChi: 1S/C20H20N2O4/c1-13-10-16-18(26-13)11-17(20(24)25-2)22(16)12-19(23)21-9-5-7-14-6-3-4-8-15(14)21/h3-4,6,8,10-11H,5,7,9,12H2,1-2H3
  • InChiKey: HCNZHWJLJVQEKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-2-methyl-furo[2,3-d]pyrrole-5-carboxylate
  • 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-5-furo[2,3-d]pyrrolecarboxylic acid methyl ester
  • 4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-2-methyl-furo[2,3-d]pyrrole-5-carboxylic acid methyl ester
  • MLS000093475
  • SMR000029093
  • methyl 4-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0039 0.0339 0.0591
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0049 0.0731 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.011 0.3081 0.2928
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.5582 0.5484
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0812 0.0282
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0279 0.9609 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0549 0.0956
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1656 0.4801
Schistosoma mansoni pyruvate carboxylase 0.011 0.3081 0.2928
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0039 0.0339 0.0177
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1778 0.1596
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1656 0.1471
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0812 0.0812
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0549 0.034
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.011 0.3081 1
Onchocerca volvulus 0.0286 0.9869 1
Trypanosoma brucei unspecified product 0.0072 0.1623 0.1623
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.1499 0.4231
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0549 0.039
Brugia malayi Pre-SET motif family protein 0.0251 0.8528 0.8875
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0289 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0812 0.0658
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.011 0.3081 0.3081
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.011 0.3081 1
Schistosoma mansoni acetyl-CoA carboxylase 0.0289 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1656 0.4801
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.011 0.3081 1
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0549 0.039
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0549 0.034
Echinococcus granulosus tar DNA binding protein 0.0076 0.1778 0.164
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.011 0.3081 0.5365
Plasmodium vivax SET domain protein, putative 0.0036 0.0217 0.0313
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0549 0.0571
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0549 0.0549
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0039 0.0339 0.0339
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1778 0.1596
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.5582 0.581
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0039 0.0339 0.0339
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1778 0.1851
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1778 0.1596
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.1499 0.1311
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.011 0.3081 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.011 0.3081 0.3081
Trypanosoma brucei acetyl-CoA carboxylase 0.0289 1 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0039 0.0339 0.0125
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0217 0.0217
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1656 0.1656
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0289 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1778 0.1851
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0549 0.034
Leishmania major acetyl-CoA carboxylase, putative 0.0289 1 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.011 0.3081 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1656 0.1656
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0646 0.0935
Leishmania major carboxylase, putative 0.011 0.3081 0.3081
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0549 0.0549
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0812 0.0812
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.1499 0.1499
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0209 0.6912 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0812 0.0282
Brugia malayi RNA binding protein 0.0076 0.1778 0.1851
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1656 0.4801
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0039 0.0339 0.0339
Brugia malayi Pre-SET motif family protein 0.0036 0.0217 0.0225
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0812 0.1175
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1499 0.1311
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0049 0.0731 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0217 0.0225
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.011 0.3081 0.2965
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0209 0.6912 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1778 0.1596
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1499 0.4231
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1778 0.1596
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0549 0.0956
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1656 0.1471
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.011 0.3081 0.5365
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0217 0.0052
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.011 0.3081 0.3081
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8528 0.8875
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.5582 0.5484
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0289 1 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.011 0.3081 0.2928
Mycobacterium ulcerans pyruvate carboxylase 0.011 0.3081 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.1778 0.1851
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1656 0.1471
Brugia malayi TAR-binding protein 0.0076 0.1778 0.1851
Chlamydia trachomatis biotin carboxylase 0.01 0.269 1
Brugia malayi Carboxyl transferase domain containing protein 0.0279 0.9609 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0549 0.034
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1778 0.1851
Loa Loa (eye worm) acetyltransferase 0.0175 0.5582 0.581
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1499 0.1356
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0039 0.0339 0.0125
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1778 0.1596
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.5393 0.5315
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0646 0.5369
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.011 0.3081 0.2928
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1656 0.1515
Loa Loa (eye worm) hypothetical protein 0.0045 0.0549 0.0571
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.011 0.3081 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0039 0.0339 0.0339
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0646 0.5369
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0039 0.0339 0.0591
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0039 0.0339 0.0591
Toxoplasma gondii pyruvate carboxylase 0.011 0.3081 0.3081
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1319 0.1373
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0549 0.039
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1499 0.4231
Trichomonas vaginalis set domain proteins, putative 0.0286 0.9869 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.011 0.3081 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.1499 0.156
Trypanosoma cruzi acetyl-CoA carboxylase 0.0179 0.5743 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1656 0.4801
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0549 0.034

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 6.5733 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) 10 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) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) 35.4813 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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