Detailed information for compound 1640842

Basic information

Technical information
  • TDR Targets ID: 1640842
  • Name: 1-[(6-hydroxy-2,2-dimethylchroman-4-ylidene)a mino]-3-(2-methylphenyl)thiourea
  • MW: 355.454 | Formula: C19H21N3O2S
  • H donors: 3 H acceptors: 1 LogP: 3.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccccc1C)N/N=C/1\CC(C)(C)Oc2c1cc(O)cc2
  • InChi: 1S/C19H21N3O2S/c1-12-6-4-5-7-15(12)20-18(25)22-21-16-11-19(2,3)24-17-9-8-13(23)10-14(16)17/h4-10,23H,11H2,1-3H3,(H2,20,22,25)/b21-16+
  • InChiKey: XGQADHJSGQXEAR-LTGZKZEYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(6-hydroxy-2,2-dimethyl-chroman-4-ylidene)amino]-3-(2-methylphenyl)thiourea
  • 1-[(6-hydroxy-2,2-dimethyl-4-chromanylidene)amino]-3-(2-methylphenyl)thiourea
  • (4E)-6-hydroxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one N-(2-methylphenyl)thiosemicarbazone
  • MLS000673634
  • SMR000314875

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
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 ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative 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
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi jmjC domain containing protein 0.0073 0.0104 0.0102
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2062 0.2053
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0137 0.0269 0.0242
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0099 0.0089
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0137 0.0269 0.0393
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0071 0.0068
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1492 0.3757 0.3751
Onchocerca volvulus 0.0182 0.0386 1
Plasmodium falciparum carbamoyl phosphate synthetase 0.0337 0.0784 0.1087
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1188 0.1178
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0029 0.0029
Leishmania major carbamoyl-phosphate synthase, putative 0.0337 0.0784 0.0758
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0531 0.1283 0.3122
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0137 0.0269 0.0306
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0137 0.0269 0.0264
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0137 0.0269 0.0264
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0029 0.0018
Onchocerca volvulus 0.0114 0.0209 0.5353
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0137 0.0269 0.0242
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0104 0.0094
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0137 0.0269 0.0374
Schistosoma mansoni cpg binding protein 0.0037 0.0011 0.0005
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0035 0.0024
Schistosoma mansoni pyruvate carboxylase 0.1492 0.3757 0.3754
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0137 0.0269 0.0527
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0137 0.0269 0.0242
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0531 0.1283 0.3414
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0085 0.0085
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0159 0.0221
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0137 0.0269 0.0264
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1492 0.3757 0.3739
Leishmania major carboxylase, putative 0.1492 0.3757 0.3739
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0668 0.1636 0.5
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0137 0.0269 0.0242
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0029 0.5
Schistosoma mansoni acetyl-CoA carboxylase 0.3917 1 1
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0137 0.0269 0.0242
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0137 0.0269 0.0259
Echinococcus multilocularis Biotin lipoyl attachment 0.0137 0.0269 0.0259
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0071 0.0068
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0137 0.0269 0.0527
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0531 0.1283 0.3414
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0137 0.0269 0.0242
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0137 0.0269 0.0269
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0137 0.0269 0.0269
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0035 0.0024
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.3917 1 1
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0337 0.0784 0.1737
Brugia malayi hypothetical protein 0.0182 0.0386 0.0395
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0531 0.1283 0.1273
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0029 0.5
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0531 0.1283 0.1258
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0159 0.0149
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1492 0.3757 0.3739
Schistosoma mansoni survival motor neuron protein 0.0058 0.0066 0.0061
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0337 0.0784 0.1233
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0029 0.0018
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0121 0.0111
Loa Loa (eye worm) hypothetical protein 0.0137 0.0269 0.0274
Trypanosoma cruzi acetyl-CoA carboxylase 0.2425 0.6159 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1492 0.3757 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1492 0.3757 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0159 0.0424
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0029 0.5
Toxoplasma gondii pyruvate carboxylase 0.1492 0.3757 0.3757
Chlamydia trachomatis biotin carboxylase 0.1355 0.3404 1
Schistosoma mansoni hypothetical protein 0.0058 0.0066 0.0061
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0121 0.0116
Loa Loa (eye worm) hypothetical protein 0.0094 0.0159 0.016
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0066 0.0063
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0121 0.0578
Echinococcus granulosus Biotin lipoyl attachment 0.0137 0.0269 0.0259
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0137 0.0269 0.0259
Chlamydia trachomatis acetyl-CoA carboxylase biotin carboxyl carrier protein 0.0137 0.0269 0.0339
Mycobacterium ulcerans pyruvate carboxylase 0.1492 0.3757 1
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0137 0.0269 0.0717
Mycobacterium ulcerans hypothetical protein 0.0137 0.0269 0.0306
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0137 0.0269 0.0274
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0137 0.0269 0.0717
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0137 0.0269 0.0274
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0531 0.1283 0.2046
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0423 0.0433
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0423 0.0433
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1188 0.1178
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0651 0.0641
Trypanosoma brucei unspecified product 0.0981 0.2441 0.242
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1492 0.3757 0.6082
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0531 0.1283 0.3122
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0137 0.0269 0.0527
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0029 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0121 0.0093
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.3917 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1492 0.3757 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2062 0.2053
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0029 0.5
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0137 0.0269 0.0259
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0106 0.01
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0337 0.0784 0.0779
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0159 0.0159
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0099 0.0089
Trypanosoma brucei acetyl-CoA carboxylase 0.3917 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0104 0.0099
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0137 0.0269 0.0269
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0337 0.0784 0.0779
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0531 0.1283 0.2046
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0137 0.0269 0.0393
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0137 0.0269 0.0393
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0099 0.0089
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0121 0.0111
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0121 0.0151
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0099 0.0094
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1492 0.3757 0.3739
Loa Loa (eye worm) hypothetical protein 0.006 0.0071 0.0068
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0531 0.1283 0.3122
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0531 0.1283 0.3279
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.3917 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2835 0.7214 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0352 0.0347
Chlamydia trachomatis dihydrolipoamide acetyltransferase 0.0137 0.0269 0.0339
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0337 0.0784 0.1087
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0531 0.1283 0.3462
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0337 0.0784 0.1233
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0423 0.0413
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0137 0.0269 0.0339
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0531 0.1283 0.3122
Schistosoma mansoni aspartate carbamoyltransferase 0.0337 0.0784 0.0779
Onchocerca volvulus 0.0058 0.0066 0.1594
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0137 0.0269 0.0274
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0076 0.0201
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0029 0.5
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0531 0.1283 0.1258
Brugia malayi Carboxyl transferase domain containing protein 0.378 0.9647 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0269 0.0274
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1492 0.3757 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0159 0.0154
Brugia malayi Probable ClpP-like protease 0.0094 0.0159 0.016
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0137 0.0269 0.0242
Schistosoma mansoni hypothetical protein 0.0494 0.1188 0.1183
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0104 0.0099
Loa Loa (eye worm) hypothetical protein 0.0182 0.0386 0.0395
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0121 0.012
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0137 0.0269 0.0374
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0137 0.0269 0.0374
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0137 0.0269 0.0264
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0137 0.0269 0.0393
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0651 0.0641
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0137 0.0269 0.0306
Brugia malayi jmjC domain containing protein 0.0071 0.0099 0.0097
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0137 0.0269 0.0259
Schistosoma mansoni cpg binding protein 0.0037 0.0011 0.0005
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0531 0.1283 0.3122
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0029 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0104 0.0102
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0531 0.1283 0.1258
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.0159 0.0159
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0137 0.0269 0.0393
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0423 0.0413
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0137 0.0269 0.0393
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2062 0.2057
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0531 0.1283 0.3279
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0137 0.0269 0.0374
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0137 0.0269 0.0269
Brugia malayi hypothetical protein 0.0286 0.0651 0.067
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0159 0.0149
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0531 0.1283 0.3414
Schistosoma mansoni alpha-glucosidase 0.0169 0.0352 0.0347
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0029 0.0024
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0121 0.012
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0531 0.1283 0.1278
Leishmania major acetyl-CoA carboxylase, putative 0.3917 1 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0029 0.0023
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.378 0.9647 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1492 0.3757 0.3754
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0531 0.1283 0.3122
Chlamydia trachomatis dihydrolipoamide succinyltransferase 0.0137 0.0269 0.0339
Loa Loa (eye worm) hypothetical protein 0.0286 0.0651 0.067
Loa Loa (eye worm) hypothetical protein 0.0041 0.0022 0.0017
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1492 0.3757 0.3754
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0121 0.0151
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0076 0.0065
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1492 0.3757 0.6082
Treponema pallidum pyruvate carboxylase subunit B 0.0137 0.0269 1
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0137 0.0269 0.0374
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0337 0.0784 0.1737
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0137 0.0269 0.0393
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0531 0.1283 0.1273
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0137 0.0269 0.0269
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0029 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0071 0.0068
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0531 0.1283 0.1283
Loa Loa (eye worm) hypothetical protein 0.0137 0.0269 0.0274
Schistosoma mansoni hypothetical protein 0.0041 0.0022 0.0017
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0029 0.0024
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0531 0.1283 0.2046
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0159 0.5914
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1492 0.3757 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1492 0.3757 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0121 0.0093
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0076 0.0065
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2835 0.7214 1
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0337 0.0784 0.0758
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0531 0.1283 0.3122
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0668 0.1636 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0022 0.0017
Toxoplasma gondii carbamoylphosphate synthetase 0.0337 0.0784 0.0784
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0137 0.0269 0.0306
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1492 0.3757 0.3751
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0029 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0159 0.0221
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0423 0.0413
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0137 0.0269 0.0242
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1492 0.3757 1
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0137 0.0269 0.0306

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.6511 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) 2.5119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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 Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 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) 35.4813 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for 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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