Detailed information for compound 322564

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 246.154 | Formula: C9H11O6P
  • H donors: 3 H acceptors: 5 LogP: -0.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1ccc(cc1)OCP(=O)(O)O
  • InChi: 1S/C9H11O6P/c10-9(11)5-7-1-3-8(4-2-7)15-6-16(12,13)14/h1-4H,5-6H2,(H,10,11)(H2,12,13,14)
  • InChiKey: MXICLCTVVFMUPA-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0037 0.0141 0.0051
Trypanosoma cruzi hexokinase, putative 0.0123 0.0624 0.0615
Giardia lamblia Farnesyl diphosphate synthase 0.1772 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0158 0.0148
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0651 0.3626 0.362
Leishmania major DNA topoisomerase III, putative 0.1151 0.6468 0.6465
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0704 0.3928 0.3922
Plasmodium falciparum glutathione reductase 0.0049 0.0207 0.0183
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.176 0.9932 0.9932
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0158 0.0133
Leishmania major DNA topoisomerase III, putative 0.0651 0.3626 0.362
Schistosoma mansoni hypothetical protein 0.0037 0.0141 0.0141
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.0566 0.0556
Echinococcus multilocularis 0.0014 0.001 0.001
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0015
Leishmania major uracil-DNA-glycosylase, putative 0.0074 0.035 0.0341
Mycobacterium leprae Probable lipase LipE 0.004 0.0158 0.0234
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0158 0.0158
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0704 0.3928 0.3928
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0025
Trichomonas vaginalis uracil DNA glycosylase, putative 0.0074 0.035 0.0326
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0704 0.3928 0.6224
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0158 0.0158
Schistosoma mansoni cpg binding protein 0.0034 0.012 0.012
Echinococcus multilocularis tumor protein p63 0.038 0.2087 0.2087
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0704 0.3928 0.3922
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0651 0.3626 0.362
Toxoplasma gondii DNA topoisomerase 2, putative 0.0283 0.1538 0.153
Entamoeba histolytica uracil-DNA glycosylase, putative 0.0074 0.035 0.0381
Plasmodium vivax DNA topoisomerase 3, putative 0.0651 0.3626 0.361
Schistosoma mansoni prokaryotic DNA topoisomerase 0.1151 0.6468 0.6468
Echinococcus multilocularis cpg binding protein 0.0034 0.012 0.012
Echinococcus granulosus cpg binding protein 0.0034 0.012 0.012
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0025 0.0015
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1772 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0283 0.1538 0.153
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0025 0.0015
Wolbachia endosymbiont of Brugia malayi uracil-DNA glycosylase 0.0032 0.0108 0.0133
Loa Loa (eye worm) hypothetical protein 0.0084 0.0403 0.0393
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0025 0.0015
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0089 0.0079
Trypanosoma brucei uracil-DNA glycosylase, putative 0.0074 0.035 0.0341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0198 0.0198
Plasmodium vivax glutathione reductase, putative 0.0049 0.0207 0.0183
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0025 0.0015
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0025
Trypanosoma cruzi DNA topoisomerase III, putative 0.1151 0.6468 0.6465
Trypanosoma brucei DNA topoisomerase IA, putative 0.0651 0.3626 0.362
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0158 0.0148
Onchocerca volvulus 0.1151 0.6468 1
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0651 0.3626 0.361
Loa Loa (eye worm) uracil-DNA glycosylase 0.0074 0.035 0.0341
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0198 0.0198
Giardia lamblia DNA topoisomerase II 0.0283 0.1538 0.1517
Entamoeba histolytica hypothetical protein 0.0037 0.0141 0.0051
Plasmodium falciparum DNA topoisomerase 3, putative 0.0651 0.3626 0.361
Loa Loa (eye worm) hexokinase 0.0123 0.0624 0.0615
Loa Loa (eye worm) hypothetical protein 0.0039 0.0149 0.014
Loa Loa (eye worm) hexokinase 0.0077 0.0365 0.0355
Trypanosoma cruzi uracil-DNA glycosylase 0.0074 0.035 0.0341
Mycobacterium ulcerans DNA gyrase subunit B 0.0283 0.1538 0.153
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0025 0.0015
Plasmodium falciparum uracil-DNA glycosylase 0.0074 0.035 0.0326
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0158 0.0148
Loa Loa (eye worm) hypothetical protein 0.0039 0.0149 0.014
Onchocerca volvulus 0.004 0.0158 0.0076
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.0637 0.0628
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0025
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1772 1 1
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.1126 0.6329 0.6325
Mycobacterium ulcerans hypothetical protein 0.0212 0.1132 0.1124
Trichomonas vaginalis DNA topoisomerase II, putative 0.0283 0.1538 0.1517
Echinococcus multilocularis dnaJ subfamily B 0.0455 0.2512 0.2512
Onchocerca volvulus 0.0077 0.0365 0.0402
Echinococcus multilocularis hexokinase type 2 0.0123 0.0624 0.0624
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.0566 0.0556
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0158 0.0148
Loa Loa (eye worm) hexokinase 0.0123 0.0624 0.0615
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0158 0.0148
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0158 0.0148
Loa Loa (eye worm) polyprenyl synthetase 0.1772 1 1
Plasmodium falciparum DNA topoisomerase 2 0.0283 0.1538 0.1517
Loa Loa (eye worm) hypothetical protein 0.004 0.0158 0.0148
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0158 0.0133
Giardia lamblia DNA topoisomerase III 0.0651 0.3626 0.361
Echinococcus granulosus geminin 0.0555 0.3081 0.3081
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0283 0.1538 0.153
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0283 0.1538 0.1527
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0207 0.0207
Brugia malayi Thioredoxin reductase 0.0049 0.0207 0.0198
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0704 0.3928 0.6201
Plasmodium vivax DNA gyrase subunit B, putative 0.0283 0.1538 0.1517
Entamoeba histolytica DNA topoisomerase II, putative 0.0283 0.1538 0.2248
Schistosoma mansoni survival motor neuron protein 0.0054 0.0232 0.0232
Echinococcus multilocularis survival motor neuron protein 1 0.0263 0.1422 0.1422
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0025 0.0015
Treponema pallidum DNA polymerase 0.0032 0.0108 0.0084
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0198 0.0189
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0141 0.0141
Plasmodium falciparum thioredoxin reductase 0.0049 0.0207 0.0183
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0141 0.0141
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0158 0.0133
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0089 0.0079
Echinococcus multilocularis rho GTPase activating protein 20 0.0651 0.3626 0.3626
Loa Loa (eye worm) beta-lactamase 0.004 0.0158 0.0148
Chlamydia trachomatis DNA topoisomerase I 0.0651 0.3626 0.5743
Trypanosoma cruzi polyprenyl synthase, putative 0.176 0.9932 0.9932
Echinococcus granulosus uracil DNA glycosylase 0.0074 0.035 0.035
Mycobacterium ulcerans error-prone DNA polymerase 0.1121 0.6296 0.6293
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0651 0.3626 0.362
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1772 1 1
Brugia malayi hypothetical protein 0.0263 0.1422 0.1413
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0158 0.0158
Leishmania major polyprenyl synthase, putative 0.176 0.9932 0.9932
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.176 0.9932 0.9932
Echinococcus granulosus dnaJ subfamily B 0.0455 0.2512 0.2512
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0704 0.3928 0.6006
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0704 0.3928 0.3928
Plasmodium vivax DNA topoisomerase II, putative 0.0283 0.1538 0.1517
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1772 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1772 1 1
Echinococcus granulosus hexokinase 0.0123 0.0624 0.0624
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Brugia malayi Probable DNA topoisomerase II 0.0283 0.1538 0.153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0198 0.0198
Toxoplasma gondii hexokinase 0.0123 0.0624 0.0615
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0704 0.3928 0.3928
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0025 0.0015
Schistosoma mansoni hypothetical protein 0.0455 0.2512 0.2512
Chlamydia trachomatis DNA gyrase subunit B 0.0283 0.1538 0.2413
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0704 0.3928 0.3922
Brugia malayi hypothetical protein 0.0037 0.0141 0.0131
Trypanosoma brucei trypanothione reductase 0.0049 0.0207 0.0198
Schistosoma mansoni cpg binding protein 0.0034 0.012 0.012
Trypanosoma cruzi polyprenyl synthase, putative 0.176 0.9932 0.9932
Brugia malayi beta-lactamase family protein 0.004 0.0158 0.0148
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0704 0.3928 0.6006
Mycobacterium tuberculosis Conserved protein 0.004 0.0158 0.0148
Onchocerca volvulus 0.0123 0.0624 0.081
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1772 1 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0283 0.1538 0.2247
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0109 0.01
Chlamydia trachomatis DNA gyrase subunit B 0.0283 0.1538 0.2413
Leishmania major DNA topoisomerase 1A 0.0651 0.3626 0.362
Leishmania major solanesyl-diphosphate synthase, putative 0.0704 0.3928 0.3922
Echinococcus multilocularis hexokinase 0.0123 0.0624 0.0624
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0283 0.1538 0.2413
Schistosoma mansoni hypothetical protein 0.0555 0.3081 0.3081
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0198 0.0189
Trypanosoma brucei DNA topoisomerase ii 0.0283 0.1538 0.153
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0283 0.1538 0.153
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0704 0.3928 0.6224
Loa Loa (eye worm) hexokinase type II 0.0123 0.0624 0.0615
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.1151 0.6468 0.6465
Onchocerca volvulus 0.0123 0.0624 0.081
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0207 0.0207
Leishmania major hypothetical protein, conserved 0.0028 0.0089 0.0079
Echinococcus granulosus tumor protein p63 0.038 0.2087 0.2087
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0704 0.3928 0.3922
Trypanosoma brucei hexokinase 0.0123 0.0624 0.0615
Brugia malayi CXXC zinc finger family protein 0.0032 0.0109 0.01
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0025 0.0015
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0158 0.0148
Schistosoma mansoni hypothetical protein 0.0555 0.3081 0.3081
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0158 0.0148
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.0637 0.0628
Trypanosoma cruzi hexokinase, putative 0.0123 0.0624 0.0615
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0651 0.3626 0.5723
Trypanosoma brucei hexokinase 0.0123 0.0624 0.0615
Loa Loa (eye worm) polyprenyl synthetase 0.0704 0.3928 0.3922
Loa Loa (eye worm) hypothetical protein 0.004 0.0158 0.0148
Mycobacterium ulcerans lipase LipD 0.004 0.0158 0.0148
Toxoplasma gondii thioredoxin reductase 0.0049 0.0207 0.0198
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0015
Onchocerca volvulus 0.0056 0.0244 0.0212
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0283 0.1538 0.1538
Brugia malayi hexokinase type II 0.0039 0.0149 0.014
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.1126 0.6329 1
Plasmodium vivax uracil-DNA glycosylase, putative 0.0074 0.035 0.0326
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0025 0.0015
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1772 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0704 0.3928 0.6224
Loa Loa (eye worm) DNA topoisomerase III 0.0651 0.3626 0.362
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.0566 0.0556
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0704 0.3928 0.3922
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0198 0.0198
Treponema pallidum DNA topoisomerase I (topA) 0.0651 0.3626 0.3635
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0089 0.0064
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1772 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0158 0.0148
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0232 0.0223
Mycobacterium tuberculosis Conserved protein 0.004 0.0158 0.0148
Entamoeba histolytica DNA topoisomerase III, putative 0.0651 0.3626 0.5531
Mycobacterium ulcerans beta-lactamase 0.004 0.0158 0.0148
Mycobacterium ulcerans glycosylase 0.0032 0.0108 0.0099
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0651 0.3626 0.361
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.1151 0.6468 0.6468
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0158 0.0148
Entamoeba histolytica DNA topoisomerase III, putative 0.1151 0.6468 1
Echinococcus granulosus hexokinase 0.0123 0.0624 0.0624
Mycobacterium ulcerans DNA polymerase III subunit alpha 0.1121 0.6296 0.6293
Mycobacterium tuberculosis Probable reductase 0.0112 0.0566 0.0556
Chlamydia trachomatis uracil DNA glycosylase 0.0074 0.035 0.0519
Toxoplasma gondii ABC1 family protein 0.004 0.0158 0.0148
Leishmania major hexokinase, putative 0.0123 0.0624 0.0615
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0259 0.1398 0.1389
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0244 0.0244
Mycobacterium leprae conserved hypothetical protein 0.004 0.0158 0.0234
Onchocerca volvulus 0.004 0.0158 0.0076
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0141 0.0141
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0089 0.0079
Schistosoma mansoni trans-prenyltransferase 0.0704 0.3928 0.3928
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1772 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0263 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0056 0.0244 0.0234
Brugia malayi Polyprenyl synthetase family protein 0.0704 0.3928 0.3922
Trichomonas vaginalis esterase, putative 0.004 0.0158 0.0133
Brugia malayi DNA topoisomerase III beta-1 0.1151 0.6468 0.6465
Mycobacterium tuberculosis Conserved hypothetical protein 0.0212 0.1132 0.1124
Plasmodium falciparum hexokinase 0.0123 0.0624 0.0601
Leishmania major farnesyl pyrophosphate synthase 0.1772 1 1
Brugia malayi hypothetical protein 0.0018 0.0032 0.0022
Mycobacterium tuberculosis Conserved protein 0.004 0.0158 0.0148
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0207 0.0183
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0283 0.1538 0.153
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0158 0.0158
Echinococcus granulosus cytochrome P450 2K1 0.0014 0.001 0.001
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.1126 0.6329 0.6325
Schistosoma mansoni hypothetical protein 0.0054 0.0232 0.0232
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0025 0.0015
Entamoeba histolytica hexokinase 1 0.0123 0.0624 0.0811
Mycobacterium ulcerans DNA topoisomerase I 0.0651 0.3626 0.362
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0704 0.3928 0.3922
Trypanosoma brucei DNA topoisomerase III, putative 0.0651 0.3626 0.362
Brugia malayi Hexokinase family protein 0.0077 0.0365 0.0355
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.176 0.9932 0.9932
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.176 0.9932 0.9932
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0025 0.0015
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0704 0.3928 0.6006
Leishmania major mitochondrial DNA topoisomerase II 0.0283 0.1538 0.153
Brugia malayi DNA topoisomerase III 0.0651 0.3626 0.362
Entamoeba histolytica hexokinase 2 0.0123 0.0624 0.0811
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.0637 0.0628
Onchocerca volvulus Hexokinase homolog 0.0077 0.0365 0.0402
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0198 0.0198
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0313 0.0313
Giardia lamblia DNA topoisomerase III 0.1151 0.6468 0.6459
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1772 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0704 0.3928 0.3928
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.0637 0.0992
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1772 1 1
Leishmania major hexokinase, putative 0.0123 0.0624 0.0615
Mycobacterium tuberculosis Probable uracil DNA glycosylase, UdgB 0.0032 0.0108 0.0099
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0198 0.0198
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0704 0.3928 0.3922
Echinococcus multilocularis hexokinase 0.0123 0.0624 0.0624
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0651 0.3626 0.3626
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0704 0.3928 0.3913
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1772 1 1
Leishmania major hypothetical protein, conserved 0.004 0.0158 0.0148
Loa Loa (eye worm) hypothetical protein 0.0263 0.1422 0.1413
Treponema pallidum hexokinase (hxk) 0.0123 0.0624 0.0605
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0651 0.3626 0.5743
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.176 0.9932 0.9932
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0158 0.0148
Onchocerca volvulus 0.0054 0.0232 0.0194
Toxoplasma gondii uracil-DNA glycosylase 0.0074 0.035 0.0341
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0704 0.3928 0.3922
Chlamydia trachomatis DNA polymerase III subunit alpha 0.1121 0.6296 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.0651 0.3626 0.362
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1772 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0141 0.0051
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.0566 0.0556
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0704 0.3928 0.3922
Mycobacterium ulcerans hypothetical protein 0.004 0.0158 0.0148
Plasmodium falciparum DNA gyrase subunit B 0.0283 0.1538 0.1517
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0207 0.0198
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0089 0.0064
Echinococcus granulosus hexokinase type 2 0.0123 0.0624 0.0624
Loa Loa (eye worm) hexokinase 0.0038 0.0143 0.0134
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0283 0.1538 0.1538
Entamoeba histolytica hypothetical protein 0.0037 0.0141 0.0051
Plasmodium vivax hexokinase, putative 0.0123 0.0624 0.0601
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0283 0.1538 0.153
Brugia malayi GRF zinc finger family protein 0.0283 0.1538 0.153
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0283 0.1538 0.153
Schistosoma mansoni DNA topoisomerase II 0.0283 0.1538 0.1538
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0367 0.2016 0.1996
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0704 0.3928 0.3922
Loa Loa (eye worm) hypothetical protein 0.004 0.0158 0.0148
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0158 0.0148
Schistosoma mansoni hypothetical protein 0.0014 0.001 0.001
Mycobacterium leprae PROBABLE URACIL-DNA GLYCOSYLASE UNG (UDG) 0.0074 0.035 0.0539
Loa Loa (eye worm) glutathione reductase 0.0049 0.0207 0.0198
Schistosoma mansoni glutathione synthetase 0.0704 0.3928 0.3928
Trypanosoma brucei DNA topoisomerase III, putative 0.1151 0.6468 0.6465
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0158 0.0148
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.0566 0.088
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0089 0.0064
Brugia malayi Uracil-DNA glycosylase 0.0074 0.035 0.0341
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0207 0.0198
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0025 0.0015
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0271 0.0262
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0704 0.3928 0.3913
Schistosoma mansoni cytochrome P450 0.0014 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.004 0.0158 0.0148
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0651 0.3626 0.3626
Brugia malayi glutathione reductase 0.0049 0.0207 0.0198
Schistosoma mansoni cpg binding protein 0.0032 0.0109 0.0109
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0283 0.1538 0.2247
Brugia malayi hypothetical protein 0.0028 0.0089 0.0079
Treponema pallidum DNA polymerase III subunit alpha 0.1121 0.6296 0.633
Echinococcus granulosus hexokinase 0.0123 0.0624 0.0624
Brugia malayi Hexokinase family protein 0.0038 0.0143 0.0134
Wolbachia endosymbiont of Brugia malayi DNA polymerase III alpha subunit 0.1121 0.6296 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Mycobacterium ulcerans uracil-DNA glycosylase 0.0074 0.035 0.0341
Schistosoma mansoni G/t mismatch-specific thymine DNA glycosylase 0.0032 0.0108 0.0108
Onchocerca volvulus 0.0123 0.0624 0.081
Echinococcus multilocularis hexokinase 0.0123 0.0624 0.0624
Treponema pallidum octaprenyl-diphosphate synthase 0.176 0.9932 1
Leishmania major trypanothione reductase 0.0049 0.0207 0.0198
Trypanosoma cruzi DNA topoisomerase III, putative 0.0651 0.3626 0.362
Brugia malayi beta-lactamase family protein 0.004 0.0158 0.0148
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0158 0.0133
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.0566 0.0556
Echinococcus multilocularis uracil DNA glycosylase 0.0074 0.035 0.035
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0158 0.0148
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.1151 0.6468 0.6468
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0108 0.0156
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1772 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0089 0.0079
Brugia malayi hexokinase 0.0123 0.0624 0.0615
Brugia malayi Hexokinase family protein 0.0123 0.0624 0.0615
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0198 0.0198
Mycobacterium tuberculosis Probable uracil-DNA glycosylase Ung (UDG) 0.0043 0.017 0.016
Schistosoma mansoni uracil-DNA glycosylase 0.0074 0.035 0.035
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1772 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0025 0.0015
Mycobacterium ulcerans hypothetical protein 0.0032 0.0108 0.0099
Loa Loa (eye worm) TOPoisomerase family member 0.0283 0.1538 0.153
Plasmodium vivax hypothetical protein, conserved 0.004 0.0158 0.0133
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0158 0.0148
Brugia malayi beta-lactamase 0.004 0.0158 0.0148
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0283 0.1538 0.2247
Echinococcus multilocularis geminin 0.0555 0.3081 0.3081
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0025 0.0015
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0089 0.0079
Schistosoma mansoni hexokinase 0.0123 0.0624 0.0624
Toxoplasma gondii DNA topoisomerase family protein 0.0651 0.3626 0.362
Trypanosoma brucei hexokinase, putative 0.0123 0.0624 0.0615
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0025 0.0015
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0207 0.0198
Onchocerca volvulus 0.004 0.0158 0.0076
Loa Loa (eye worm) hypothetical protein 0.004 0.0158 0.0148
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0158 0.0133

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) No inhibition 0 mM Inhibition constant for human placental alkaline phosphatase at pH 9; No reduction in rate ChEMBL. 15501071
Inhibition (binding) = 0.13 mM Inhibition constant protein phosphatase 2C in presence of [Mn2+] at 5 mM pH 7.5 ChEMBL. 15501071
Inhibition (binding) = 0.19 mM Inhibition constant for lambda protein phosphatase in presence of [Mn2+] at 5 mM pH 7.3 ChEMBL. 15501071
Inhibition (binding) = 0.19 mM Inhibition constant for lambda protein phosphatase in presence of [Mn2+] at 5 mM pH 7.3 ChEMBL. 15501071
Inhibition (binding) = 5.1 mM Inhibition constant for Escherichia coli alkaline phosphatase at pH 9 ChEMBL. 15501071
Inhibition (binding) = 5.1 mM Inhibition constant for Escherichia coli alkaline phosphatase at pH 9 ChEMBL. 15501071
Inhibition (binding) = 12 mM Inhibition constant for YOP protein tyrosine phosphatase at pH 6.6 ChEMBL. 15501071
Inhibition (binding) = 12 mM Inhibition constant for YOP protein tyrosine phosphatase at pH 6.6 ChEMBL. 15501071
Ki (binding) = 1.1 mM Compound was evaluated for the inhibition constant against Protein-tyrosine phosphatase (PTP1B ) ChEMBL. 10743947
Ki (binding) = 2.6 mM Compound was evaluated for the inhibition constant against dual specificity phosphatase VHR ChEMBL. 10743947

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

2 literature references were collected for this gene.

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