Detailed information for compound 1422916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.324 | Formula: C14H14O4S
  • H donors: 2 H acceptors: 4 LogP: 1.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H](C(S(=O)(=O)O)c1ccccc1)c1ccccc1
  • InChi: 1S/C14H14O4S/c15-13(11-7-3-1-4-8-11)14(19(16,17)18)12-9-5-2-6-10-12/h1-10,13-15H,(H,16,17,18)/t13-,14?/m0/s1
  • InChiKey: ZUZCEPDMQCVPET-LSLKUGRBSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0256 0.0313 0.0507
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0062 0.0062
Schistosoma mansoni dihydrofolate reductase 0.2899 0.3946 0.3946
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0256 0.0313 0.0313
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0018 0.0002
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.0274 0.0284
Onchocerca volvulus 0.0259 0.0318 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0018 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0152 0.0157
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0061 0.1914
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2899 0.3946 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.7048 0.9648 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.099 0.1322 0.214
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0017 0.0546
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0148 0.0164 0.017
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0014 0.0431
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.2357
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0158 0.0179 0.0179
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0061 0.1914
Brugia malayi hypothetical protein 0.0029 0.0002 0.0002
Echinococcus granulosus thymidylate synthase 0.0158 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0029 0.0002 0.0002
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0018 0.0018
Leishmania major carbamoyl-phosphate synthase, putative 0.0629 0.0826 0.0826
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.214
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5285 0.7226 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0062 0.0114
Onchocerca volvulus 0.0072 0.0061 0.1909
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.099 0.1322 0.332
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0018 0.0025
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2782 0.3785 0.3785
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0152 0.0157
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0002 0.0002
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0061 0.0063
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0018 0.0109
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.1703
Loa Loa (eye worm) hypothetical protein 0.0256 0.0313 0.0324
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.099 0.1322 0.333
Brugia malayi beta-lactamase family protein 0.0072 0.0061 0.0063
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1246 0.1673 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.0014
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0256 0.0313 0.0507
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2782 0.3785 0.6129
Plasmodium vivax SET domain protein, putative 0.0033 0.0006 0.0009
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0018 0.0019
Trypanosoma brucei unspecified product 0.1829 0.2475 0.2475
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.099 0.1322 0.3462
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0256 0.0313 0.0313
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.0018 0.0109
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0018 0.0029
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0629 0.0826 0.2057
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0061 0.0111
Schistosoma mansoni aspartate carbamoyltransferase 0.0629 0.0826 0.0826
Echinococcus granulosus GPCR family 2 0.0035 0.0009 0.0009
Mycobacterium ulcerans hypothetical protein 0.0072 0.0061 0.0111
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.7304 1 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2782 0.3785 0.3785
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0061 0.0125
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0256 0.0313 0.0313
Loa Loa (eye worm) inositol-1 0.0041 0.0017 0.0018
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0256 0.0313 0.0433
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2782 0.3785 0.3785
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0061 0.0125
Toxoplasma gondii exonuclease III APE 0.0041 0.0018 0.0018
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0256 0.0313 0.0324
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0629 0.0826 0.2145
Loa Loa (eye worm) thymidylate synthase 0.0158 0.0179 0.0186
Echinococcus multilocularis microtubule associated protein 2 0.0712 0.094 0.094
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0256 0.0313 0.0433
Loa Loa (eye worm) hypothetical protein 0.0075 0.0064 0.0066
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0111 0.0116
Loa Loa (eye worm) hypothetical protein 0.0033 0.0006 0.0007
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.099 0.1322 0.333
Schistosoma mansoni ap endonuclease 0.0041 0.0018 0.0018
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0014 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0164 0.0164
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0014 0.0431
Onchocerca volvulus 0.0033 0.0006 0.0193
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0256 0.0313 0.0313
Trichomonas vaginalis set domain proteins, putative 0.0259 0.0318 1
Treponema pallidum pyruvate carboxylase subunit B 0.0256 0.0313 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0164 0.0164
Echinococcus multilocularis thymidylate synthase 0.0158 0.0179 0.0179
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0028
Leishmania major carboxylase, putative 0.2782 0.3785 0.3785
Trypanosoma cruzi acetyl-CoA carboxylase 0.4522 0.6176 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0148 0.0164 0.017
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Echinococcus granulosus microtubule associated protein 2 0.0712 0.094 0.094
Mycobacterium ulcerans pyruvate carboxylase 0.2782 0.3785 0.9589
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0061 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0164 0.0164
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1246 0.1673 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Trypanosoma brucei acetyl-CoA carboxylase 0.7304 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0061 0.0125
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.099 0.1322 0.332
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0256 0.0313 0.0766
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0061 0.0111
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0062 0.0062
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0009 0.0009
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0009 0.0009
Brugia malayi dihydrofolate reductase family protein 0.2899 0.3946 0.409
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0075 0.0065 0.0105
Mycobacterium tuberculosis Hypothetical protein 0.0075 0.0065 0.0136
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0014 0.0022
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0164 0.0164
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0062 0.0129
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0006 0.0006
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0313
Schistosoma mansoni acetyl-CoA carboxylase 0.7304 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0064 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.0065 0.2049
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.099 0.1322 0.2776
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0111 0.0116
Echinococcus multilocularis Biotin lipoyl attachment 0.0256 0.0313 0.0313
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0014 0.0014
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0002 0.0002
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0629 0.0826 0.1337
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0256 0.0313 0.0313
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0061 0.0125
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0061 0.0125
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2782 0.3785 1
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0256 0.0313 0.0313
Toxoplasma gondii pyruvate carboxylase 0.2782 0.3785 0.3785
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0256 0.0313 0.0313
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0507
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2782 0.3785 0.9589
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0009 0.0009
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0017 0.0546
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.099 0.1322 0.333
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0629 0.0826 0.1143
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0629 0.0826 0.0826
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0313
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0014 0.0014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0111 0.0116
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.001 0.001
Brugia malayi Inositol-1 0.0041 0.0017 0.0018
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0256 0.0313 0.0313
Leishmania major propionyl-coa carboxylase beta chain, putative 0.099 0.1322 0.1322
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0014 0.0022
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.214
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0256 0.0313 0.0766
Schistosoma mansoni inositol monophosphatase 0.0041 0.0017 0.0017
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0062 0.0062
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2782 0.3785 0.3785
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0062 0.0114
Mycobacterium tuberculosis Conserved protein 0.0072 0.0061 0.0125
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0018 0.0019
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0009 0.0009
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2782 0.3785 0.959
Brugia malayi hypothetical protein 0.0075 0.0065 0.0067
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0256 0.0313 0.0313
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0014 0.0014
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0017 0.0017
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0256 0.0313 0.0507
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0256 0.0313 0.0507
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0014 0.0082
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0009
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0256 0.0313 0.0753
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0062 0.0114
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0006 0.0006
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0018 0.0018
Brugia malayi Dihydrofolate reductase 0.2899 0.3946 0.409
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0006 0.0006
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0018 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0061 0.0098
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0256 0.0313 0.0313
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.7304 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0018 0.0573
Onchocerca volvulus 0.0072 0.0061 0.1909
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2899 0.3946 1
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2782 0.3785 0.959
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0256 0.0313 0.0313
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0256 0.0313 0.0324
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0256 0.0313 0.0313
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0014 0.0014
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0002 0.0003
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0037 0.0038
Mycobacterium ulcerans lipase LipD 0.0072 0.0061 0.0111
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0062 0.0062
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0256 0.0313 0.0313
Trichomonas vaginalis esterase, putative 0.0072 0.0061 0.1914
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.2757
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.099 0.1322 0.333
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0629 0.0826 0.0826
Echinococcus multilocularis GPCR, family 2 0.0035 0.0009 0.0009
Chlamydia trachomatis dihydrofolate reductase 0.2899 0.3946 1
Brugia malayi Cytochrome P450 family protein 0.0055 0.0037 0.0038
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0462 0.0596 0.1486
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0061 0.1914
Leishmania major acetyl-CoA carboxylase, putative 0.7304 1 1
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.099 0.1322 0.1322
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0061 0.0061
Echinococcus multilocularis dihydrofolate reductase 0.2899 0.3946 0.3946
Brugia malayi beta-lactamase family protein 0.0072 0.0061 0.0063
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0256 0.0313 0.0785
Mycobacterium ulcerans hypothetical protein 0.0256 0.0313 0.0753
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2782 0.3785 0.6129
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0256 0.0313 0.0433
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0035 0.001 0.001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0009 0.0009
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.1322
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0006 0.0006
Schistosoma mansoni pyruvate carboxylase 0.2782 0.3785 0.3785
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2782 0.3785 0.9589
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0061 0.0061
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0061 0.1914
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0017 0.0017
Mycobacterium ulcerans thymidylate synthase 0.0158 0.0179 0.0412
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0017 0.0546
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0002 0.0002
Mycobacterium ulcerans beta-lactamase 0.0072 0.0061 0.0111
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Onchocerca volvulus 0.0158 0.0179 0.564
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0158 0.0179 0.0426
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0006 0.0006
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0256 0.0313 0.0313
Brugia malayi Carboxyl transferase domain containing protein 0.7048 0.9648 1
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0256 0.0313 0.0324
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0014 0.0014
Mycobacterium tuberculosis Conserved protein 0.0072 0.0061 0.0125
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0062 0.0062
Leishmania major hypothetical protein, conserved 0.0072 0.0061 0.0061
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0018 0.0025
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.1703
Brugia malayi beta-lactamase 0.0072 0.0061 0.0063
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.099 0.1322 0.333
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0256 0.0313 0.0766
Schistosoma mansoni microtubule-associated protein tau 0.0712 0.094 0.094
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.5285 0.7226 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1267 0.1703 0.1703
Schistosoma mansoni ap endonuclease 0.0041 0.0018 0.0018
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0018 0.0573
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0014 0.0431
Plasmodium falciparum carbamoyl phosphate synthetase 0.0629 0.0826 0.1143
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0256 0.0313 0.0313
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.099 0.1322 0.332
Schistosoma mansoni hypothetical protein 0.0075 0.0064 0.0064
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.099 0.1322 0.1322
Brugia malayi Pre-SET motif family protein 0.0033 0.0006 0.0007
Loa Loa (eye worm) hypothetical protein 0.0256 0.0313 0.0324
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0061 0.0061
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0256 0.0313 0.0507
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0061 0.1914
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0256 0.0313 0.0313
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0256 0.0313 0.0324
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0629 0.0826 0.0826
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0014 0.0014
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0018 0.0018
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0256 0.0313 0.0313
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0028
Schistosoma mansoni inositol monophosphatase 0.0041 0.0017 0.0017
Brugia malayi MH2 domain containing protein 0.0138 0.0152 0.0157
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0017 0.0104
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2782 0.3785 0.959
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0061 0.0063
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0061 0.0084
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0256 0.0313 0.0313
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0006 0.0006
Onchocerca volvulus 0.0072 0.0061 0.1909
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2782 0.3785 0.3785
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0061 0.0061
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.099 0.1322 0.332
Toxoplasma gondii carbamoylphosphate synthetase 0.0629 0.0826 0.0826
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0017
Entamoeba histolytica hypothetical protein 0.0035 0.001 0.0061
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0158 0.0179 0.0426
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2899 0.3946 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0109 0.0111 0.0116
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0014 0.0014
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2782 0.3785 0.3785
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.099 0.1322 0.332
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0164 0.0164
Brugia malayi hypothetical protein 0.0035 0.001 0.0011
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0018 0.0002
Echinococcus granulosus Biotin lipoyl attachment 0.0256 0.0313 0.0313
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.099 0.1322 0.1322
Mycobacterium leprae Probable lipase LipE 0.0072 0.0061 0.0125
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Loa Loa (eye worm) dihydrofolate reductase 0.2899 0.3946 0.409
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.7304 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0061 0.0063
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0164 0.0164
Echinococcus granulosus dihydrofolate reductase 0.2899 0.3946 0.3946
Chlamydia trachomatis biotin carboxylase 0.2526 0.3434 0.8588
Brugia malayi Pre-SET motif family protein 0.0228 0.0274 0.0284
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0256 0.0313 0.0313
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0017 0.0017
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.099 0.1322 0.332
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0256 0.0313 0.0433
Brugia malayi thymidylate synthase 0.0158 0.0179 0.0186
Toxoplasma gondii ABC1 family protein 0.0072 0.0061 0.0061
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0061 0.0098
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0009 0.0009
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.099 0.1322 0.1322
Loa Loa (eye worm) beta-lactamase 0.0072 0.0061 0.0063
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0256 0.0313 0.0785
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0256 0.0313 0.0766
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0017 0.0017
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0014 0.0082
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0256 0.0313 0.0433
Mycobacterium tuberculosis Conserved protein 0.0072 0.0061 0.0125
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.099 0.1322 0.1322
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0009 0.0009
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0629 0.0826 0.1337
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0002 0.0002
Leishmania major hypothetical protein, conserved 0.0029 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0009
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0256 0.0313 0.0753
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0002 0.0003
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0256 0.0313 0.0766
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1267 0.1703 0.2357
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0061 0.0125
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2782 0.3785 0.3785
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0061 0.0125
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.001 0.001
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0256 0.0313 0.0507
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0164 0.0164
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0062 0.0062
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2782 0.3785 0.9589
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0061 0.0061
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0006 0.0006
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.001 0.001
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0018 0.0018

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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