Detailed information for compound 1477291

Basic information

Technical information
  • TDR Targets ID: 1477291
  • Name: (2R)-1-[2-(3,4,8-trimethyl-2-oxochromen-7-yl) oxyacetyl]pyrrolidine-2-carboxylic acid
  • MW: 359.373 | Formula: C19H21NO6
  • H donors: 1 H acceptors: 4 LogP: 2.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H]1CCCN1C(=O)COc1ccc2c(c1C)oc(=O)c(c2C)C
  • InChi: 1S/C19H21NO6/c1-10-11(2)19(24)26-17-12(3)15(7-6-13(10)17)25-9-16(21)20-8-4-5-14(20)18(22)23/h6-7,14H,4-5,8-9H2,1-3H3,(H,22,23)/t14-/m1/s1
  • InChiKey: CILMVYLOUANTLX-CQSZACIVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-1-[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid
  • (2R)-1-[1-oxo-2-[(3,4,8-trimethyl-2-oxo-7-chromenyl)oxy]ethyl]-2-pyrrolidinecarboxylic acid
  • (2R)-1-[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxyacetyl]proline
  • (2R)-1-[2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxyethanoyl]pyrrolidine-2-carboxylic acid
  • STOCK1N-42993

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Pseudomonas aeruginosa Beta Lactamase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans class a beta-lactamase, BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Class a beta-lactamase BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus thioredoxin glutathione reductase 0.0086 0.0949 0.5678
Echinococcus multilocularis thioredoxin glutathione reductase 0.0086 0.0949 0.5678
Mycobacterium ulcerans hypothetical protein 0.0798 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0778 0.2623
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0077 0.0832 0.078
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0556 0.3267
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0394 0.2275
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0407 0.133
Brugia malayi PHD-finger family protein 0.0013 0.0025 0.0087
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0199
Schistosoma mansoni patched 1 0.0043 0.0394 0.1183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0556 0.3267
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0135 0.0465
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0077 0.0832 0.0443
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0394 0.035
Echinococcus granulosus cpg binding protein 0.0037 0.032 0.1818
Mycobacterium tuberculosis Probable dehydrogenase 0.0195 0.2338 0.2295
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0556 0.192
Loa Loa (eye worm) hypothetical protein 0.0043 0.0407 0.133
Loa Loa (eye worm) pax transcription factor protein 2 0.0239 0.2896 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.0131 0.0452
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.1113 0.3845
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0113 0.1296 0.109
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0798 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0407 0.018
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0301 0.2325
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1381 0.4725
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0056 0.0199
Plasmodium falciparum thioredoxin reductase 0.003 0.0231 0.1609
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0207 0.0162
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.016 0.1891 0.1846
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.003 0.0231 0.2451
Trypanosoma cruzi trypanothione reductase, putative 0.0086 0.0943 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1381 0.4725
Echinococcus granulosus Aminotransferase class III 0.0113 0.1296 0.7805
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0217 0.2615 0.2574
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0407 0.0353
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0086 0.0943 0.0892
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0113 0.1296 1
Plasmodium falciparum ornithine aminotransferase 0.0113 0.1296 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0123 0.1413 0.8524
Brugia malayi Heterochromatin protein 1 0.007 0.0745 0.2573
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0056 0.0193
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0407 0.0353
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.0025 0.0009
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.003 0.0231 0.2451
Brugia malayi Thioredoxin reductase 0.0086 0.0943 0.3255
Schistosoma mansoni hypothetical protein 0.0041 0.0375 0.1124
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.003 0.0231 0.2451
Onchocerca volvulus 0.0239 0.2896 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0123 0.1413 0.424
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.1668
Brugia malayi PHD-finger family protein 0.0035 0.0301 0.1041
Onchocerca volvulus 0.0043 0.0407 0.1376
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0195 0.2338 0.2013
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0301 0.2325
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0113 0.1296 0.1247
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0407 0.0353
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1133 0.3399
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0301 0.1705
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0113 0.1296 0.3889
Brugia malayi jmjC domain containing protein 0.0045 0.0421 0.1453
Plasmodium vivax glutathione reductase, putative 0.0086 0.0943 0.7215
Brugia malayi CXXC zinc finger family protein 0.0035 0.0295 0.1017
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.01 0.0054
Toxoplasma gondii NADPH-glutathione reductase 0.003 0.0231 0.1783
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0301 0.2162
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0396 0.2282
Brugia malayi Pax transcription factor protein 2 0.0239 0.2896 1
Trypanosoma brucei beta lactamase 0.0077 0.0832 0.8823
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0113 0.1296 0.109
Loa Loa (eye worm) hypothetical protein 0.0123 0.1413 0.4836
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0009 0.0028
Brugia malayi Bromodomain containing protein 0.0035 0.0301 0.1041
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0477 0.278
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.01 0.0054
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0056 0.0168
Echinococcus multilocularis serotonin receptor 0.0123 0.1413 0.8524
Onchocerca volvulus 0.0043 0.0407 0.1376
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1113 0.6685
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.003 0.0231 0.1609
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0407 0.122
Treponema pallidum NADH oxidase 0.003 0.0231 0.5
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0113 0.1296 0.0927
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.003 0.0231 0.1609
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0407 0.2991
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0391 0.0347
Schistosoma mansoni cpg binding protein 0.0037 0.032 0.0959
Plasmodium vivax ornithine aminotransferase, putative 0.0113 0.1296 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.003 0.0231 0.1609
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Loa Loa (eye worm) thioredoxin reductase 0.0086 0.0943 0.3197
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.1654 1
Brugia malayi CHD4 protein 0.0013 0.0025 0.0085
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0295 0.094
Mycobacterium ulcerans acetylornithine aminotransferase 0.0113 0.1296 0.109
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1113 0.6685
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0407 0.0362
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0407 0.0353
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0056 0.0199
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.016 0.1891 0.17
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0407 0.0362
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0421 0.1262
Echinococcus multilocularis ornithine aminotransferase 0.0113 0.1296 0.7805
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0195 0.2338 0.2295
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.003 0.0231 0.1976
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3386 0.3348
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0199
Trichomonas vaginalis glutathione reductase, putative 0.003 0.0231 0.0186
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0217 0.2615 0.2302
Mycobacterium ulcerans lipoprotein LpqF 0.0077 0.0832 0.0615
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0199
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0407 0.0362
Toxoplasma gondii thioredoxin reductase 0.0086 0.0943 0.7273
Loa Loa (eye worm) hypothetical protein 0.0039 0.0353 0.1145
Schistosoma mansoni cpg binding protein 0.0035 0.0295 0.0884
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0407 0.0353
Plasmodium falciparum phd finger protein, putative 0.0035 0.0301 0.2162
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0217 0.2615 0.2574
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0477 0.278
Schistosoma mansoni chromobox protein 0.007 0.0745 0.2236
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0421 0.1262
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0394 0.1287
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0556 0.3267
Brugia malayi SET domain containing protein 0.0012 0.0009 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.1668
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.003 0.0231 0.1783
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0556 0.185
Schistosoma mansoni hypothetical protein 0.0041 0.0375 0.1124
Schistosoma mansoni hypothetical protein 0.0035 0.0301 0.0904
Echinococcus multilocularis chromobox protein 1 0.007 0.0745 0.4427
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.01 0.0054
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0195 0.2338 0.2295
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0394 0.2275
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Loa Loa (eye worm) hypothetical protein 0.0043 0.0407 0.133
Loa Loa (eye worm) hypothetical protein 0.0035 0.0301 0.0963
Loa Loa (eye worm) hypothetical protein 0.0099 0.1113 0.3792
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0301 0.0963
Echinococcus granulosus peregrin 0.0035 0.0301 0.1705
Mycobacterium tuberculosis Probable reductase 0.0195 0.2338 0.2295
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0301 0.0904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0556 0.3267
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.1654 1
Plasmodium vivax thioredoxin reductase, putative 0.0086 0.0943 0.7215
Echinococcus multilocularis chromobox protein 1 0.007 0.0745 0.4427
Loa Loa (eye worm) hypothetical protein 0.0123 0.1413 0.4836
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0056 0.0228
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0113 0.1296 0.4476
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0113 0.1296 1
Brugia malayi beta-lactamase family protein 0.0043 0.0407 0.1404
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0391 0.1324
Echinococcus multilocularis expressed conserved protein 0.0093 0.1037 0.6216
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0391 0.0347
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0689 0.5317
Loa Loa (eye worm) hypothetical protein 0.0043 0.0394 0.1287
Toxoplasma gondii ABC1 family protein 0.0043 0.0407 0.3136
Echinococcus multilocularis cpg binding protein 0.0037 0.032 0.1818
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.003 0.0231 0.1274
Brugia malayi beta-lactamase 0.0043 0.0407 0.1404
Echinococcus granulosus expressed conserved protein 0.0093 0.1037 0.6216
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0407 0.235
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0798 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0556 0.1668
Echinococcus multilocularis ornithine aminotransferase 0.0113 0.1296 0.7805
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.003 0.0231 0.0693
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.01 0.0054
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0798 1 1
Onchocerca volvulus 0.0043 0.0407 0.1376
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.01 0.0054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.01 0.0054
Brugia malayi jmjC domain containing protein 0.0115 0.132 0.4557
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0113 0.1296 0.0927
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.01 0.0054
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0745 0.2509
Mycobacterium tuberculosis Conserved protein 0.0043 0.0407 0.0353
Loa Loa (eye worm) hypothetical protein 0.0043 0.0407 0.133
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.0025 0.0009
Echinococcus multilocularis peregrin 0.0035 0.0301 0.1705
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0301 0.1705
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0407 0.122
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0056 0.0592
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0053 0.0007
Mycobacterium tuberculosis Probable oxidoreductase 0.0217 0.2615 0.2574
Loa Loa (eye worm) hypothetical protein 0.0052 0.0516 0.1711
Brugia malayi chromobox protein homolog 3 0.0039 0.0353 0.122
Mycobacterium ulcerans lipase LipD 0.0043 0.0407 0.018
Mycobacterium ulcerans hypothetical protein 0.0043 0.0407 0.018
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0407 0.235
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0421 0.2437
Mycobacterium tuberculosis Conserved protein 0.0043 0.0407 0.0353
Trichomonas vaginalis mercuric reductase, putative 0.003 0.0231 0.0186
Leishmania major acetoin dehydrogenase e3 component-like protein 0.003 0.0231 0.1976
Brugia malayi beta-lactamase family protein 0.0043 0.0407 0.1404
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.132 0.7951
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.0131 0.0452
Schistosoma mansoni hypothetical protein 0.0041 0.0375 0.1124
Plasmodium falciparum glutathione reductase 0.0086 0.0943 0.7215
Brugia malayi isocitrate dehydrogenase 0.0016 0.0056 0.0193
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1018 0.3056
Mycobacterium tuberculosis Probable aminotransferase 0.0798 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0231 0.1976
Trichomonas vaginalis chromobox protein, putative 0.007 0.0745 0.0702
Echinococcus multilocularis protein patched 0.0043 0.0394 0.2275
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0025 0.0074
Onchocerca volvulus 0.0031 0.0245 0.0818
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0113 0.1296 0.1247
Plasmodium falciparum thioredoxin reductase 0.0086 0.0943 0.7215
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0056 0.0228
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.003 0.0231 0.1976
Brugia malayi CHE-14 protein 0.0043 0.0394 0.1362
Plasmodium falciparum glutathione reductase 0.003 0.0231 0.1609
Echinococcus granulosus ornithine aminotransferase 0.0113 0.1296 0.7805
Echinococcus multilocularis Aminotransferase class III 0.0113 0.1296 0.7805
Echinococcus multilocularis protein dispatched 1 0.0049 0.0471 0.2743
Schistosoma mansoni cpg binding protein 0.0037 0.032 0.0959
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.1113 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0195 0.2338 0.2295
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0421 0.1379
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0407 0.3954
Echinococcus multilocularis serotonin receptor 0.0123 0.1413 0.8524
Loa Loa (eye worm) hypothetical protein 0.0013 0.0025 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0407 0.3954
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0113 0.1296 0.109
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0394 0.2275
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0407 0.0362
Mycobacterium tuberculosis Conserved protein 0.0043 0.0407 0.0353
Giardia lamblia PHD finger protein 15 0.0035 0.0301 1
Leishmania major trypanothione reductase 0.0086 0.0943 1
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0113 0.1296 0.0927
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0353 0.0309
Trypanosoma cruzi trypanothione reductase, putative 0.003 0.0231 0.1976
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0056 0.0431
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0056 0.0199
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0407 0.018
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0407 0.0353
Trichomonas vaginalis esterase, putative 0.0043 0.0407 0.0362
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.011 0.0329
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0056 0.0431
Leishmania major hypothetical protein, conserved 0.0043 0.0407 0.3954
Loa Loa (eye worm) hypothetical protein 0.006 0.0621 0.2077
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0353 0.0309
Loa Loa (eye worm) hypothetical protein 0.0031 0.0245 0.0769
Schistosoma mansoni hypothetical protein 0.0041 0.0375 0.1124
Mycobacterium ulcerans beta-lactamase 0.0043 0.0407 0.018
Loa Loa (eye worm) beta-lactamase 0.0043 0.0407 0.133
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.003 0.0231 0.1609
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.003 0.0231 0.0798
Schistosoma mansoni chromobox protein 0.007 0.0745 0.2236
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.003 0.0231 0.2451
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0056 0.0592
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0407 0.0362
Trichomonas vaginalis chromobox protein, putative 0.007 0.0745 0.0702
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0353 0.1192
Loa Loa (eye worm) hypothetical protein 0.0043 0.0407 0.133
Onchocerca volvulus 0.0035 0.0295 0.0989
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0113 0.1296 0.1247
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0113 0.1296 0.109
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.003 0.0231 0.0176
Brugia malayi MH2 domain containing protein 0.012 0.1381 0.477
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0407 0.0353
Loa Loa (eye worm) glutathione reductase 0.0086 0.0943 0.3197
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0113 0.1296 0.1247
Mycobacterium ulcerans L-lysine aminotransferase 0.0113 0.1296 0.109
Loa Loa (eye worm) hypothetical protein 0.0043 0.0407 0.133
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0016 0.0053 0.0007
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0056 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0207 0.0162
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.132 0.7951
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.01 0.0054
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0195 0.2338 0.2295
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.003 0.0231 0.1274
Leishmania major dihydrolipoamide dehydrogenase, putative 0.003 0.0231 0.1976
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0113 0.1296 1
Trypanosoma brucei trypanothione reductase 0.0086 0.0943 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0407 0.4312
Onchocerca volvulus Alhambra homolog 0.0035 0.0301 0.1012
Brugia malayi glutathione reductase 0.0086 0.0943 0.3255
Echinococcus granulosus chromobox protein 1 0.007 0.0745 0.4427
Echinococcus granulosus chromobox protein 1 0.007 0.0745 0.4427
Loa Loa (eye worm) hypothetical protein 0.0043 0.0407 0.133
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0407 0.1404
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0789 0.2367

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.089 uM PubChem BioAssay. FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify epi-absorbance assay artifacts. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 6.073 uM PubChem BioAssay. Epi-absorbance-based dose response biochemical high throughput screening assay for selective inhibitors of VIM-2 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.64 uM PubChem BioAssay. Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of TEM-1 serine-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.64 uM PubChem BioAssay. FRET-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) > 59.64 uM PubChem BioAssay. Epi-absorbance-based counterscreen for selective VIM-2 inhibitors: dose response biochemical high throughput screening assay to identify inhibitors of IMP-1 metallo-beta-lactamase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0029 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) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.5119 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) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

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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