Detailed information for compound 77051

Basic information

Technical information
  • TDR Targets ID: 77051
  • Name: (2S)-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-2, 3-dihydrochromene-8-carbaldehyde
  • MW: 298.29 | Formula: C17H14O5
  • H donors: 2 H acceptors: 4 LogP: 3.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c2O[C@@H](CC(=O)c2c(c(c1O)C)O)c1ccccc1
  • InChi: 1S/C17H14O5/c1-9-15(20)11(8-18)17-14(16(9)21)12(19)7-13(22-17)10-5-3-2-4-6-10/h2-6,8,13,20-21H,7H2,1H3/t13-/m0/s1
  • InChiKey: ONESXBRHUWVWFD-ZDUSSCGKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-chromane-8-carbaldehyde
  • (2S)-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-carboxaldehyde
  • (2S)-5,7-dihydroxy-4-keto-6-methyl-2-phenyl-chroman-8-carbaldehyde
  • lawinal
  • (2S)-5,7-dihydroxy-6-methyl-4-oxo-2-phenylchroman-8-carbaldehyde
  • (2S)-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-chroman-8-carbaldehyde
  • (2S)-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-8-chromancarboxaldehyde
  • 55743-09-4
  • AIDS-165356
  • AIDS165356
  • 2H-1-Benzopyran-8-carboxaldehyde, 3,4-dihydro-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-, (S)-
  • 2H-1-Benzopyran-8-carboxaldehyde, 3,4-dihydro-5,7-dihydroxy-6-methyl-4-oxo-2-phenyl-, (2S)-

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
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0083 0.0035 0.0035
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Plasmodium falciparum DNA gyrase subunit A 0.0592 0.0351 0.3565
Brugia malayi beta-lactamase family protein 0.004 0.0009 0.0093
Echinococcus multilocularis heat shock protein 0.0109 0.0051 0.0759
Mycobacterium leprae Probable lipase LipE 0.004 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0511 0.03 0.444
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbA 1.6159 1 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.1113 0.0674 1
Trypanosoma brucei developmentally regulated phosphoprotein 0.0083 0.0035 0.0282
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Toxoplasma gondii ABC1 family protein 0.004 0.0009 0.0065
Mycobacterium ulcerans DNA topoisomerase I 0.012 0.0058 0.0058
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0028 0.0295
Trypanosoma cruzi DNA topoisomerase IA, putative 0.012 0.0058 0.0618
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0083 0.0035 0.0035
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.1512 0.0921 1
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0083 0.0035 0.0035
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0592 0.0351 0.5173
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0592 0.0351 0.3809
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Onchocerca volvulus 0.004 0.0009 0.0123
Mycobacterium leprae Probable two-component sensor kinase 0.0083 0.0035 0.0035
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Loa Loa (eye worm) beta-lactamase 0.004 0.0009 0.0098
Loa Loa (eye worm) TOPoisomerase family member 0.1113 0.0674 1
Loa Loa (eye worm) glutaminase 2 0.0304 0.0172 0.2536
Brugia malayi kinase, mitochondrial precursor 0.0083 0.0035 0.0485
Loa Loa (eye worm) hypothetical protein 0.0083 0.0035 0.049
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1545 0.0941 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.012 0.0058 0.0831
Plasmodium vivax DNA topoisomerase 3, putative 0.012 0.0058 0.0588
Mycobacterium tuberculosis Conserved protein 0.004 0.0009 0.0009
Toxoplasma gondii heat shock protein HSP90 0.0109 0.0051 0.0701
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 1.6159 1 1
Leishmania major hypothetical protein, conserved 0.0083 0.0035 0.0371
Echinococcus multilocularis musashi 0.003 0.0002 0.0035
Schistosoma mansoni prokaryotic DNA topoisomerase 0.012 0.0058 0.0831
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Toxoplasma gondii DNA topoisomerase family protein 0.012 0.0058 0.0805
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0009 0.0009
Mycobacterium ulcerans hypothetical protein 0.004 0.0009 0.0009
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.012 0.0058 0.0863
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.0142 0.0142
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0849 0.051 1
Onchocerca volvulus 0.004 0.0009 0.0123
Trichomonas vaginalis DNA topoisomerase II, putative 0.1113 0.0674 1
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Brugia malayi beta-lactamase 0.004 0.0009 0.0093
Plasmodium vivax DNA gyrase subunit A, putative 0.0592 0.0351 0.378
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0009 0.0127
Trypanosoma brucei Heat shock protein 83, putative 0.0109 0.0051 0.0457
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0009 0.0009
Trichomonas vaginalis set domain proteins, putative 0.0263 0.0146 0.2173
Trichomonas vaginalis sensor histidine kinase, putative 0.0083 0.0035 0.0518
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0083 0.0035 0.0518
Trypanosoma cruzi heat shock protein 90, putative 0.0109 0.0051 0.0543
Trypanosoma brucei DNA topoisomerase III, putative 0.012 0.0058 0.0531
Trypanosoma cruzi heat shock protein 85, putative 0.0109 0.0051 0.0543
Treponema pallidum DNA topoisomerase I (topA) 0.012 0.0058 0.0631
Trypanosoma brucei DNA topoisomerase III, putative 0.012 0.0058 0.0531
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0009 0.0009
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0083 0.0035 0.0371
Mycobacterium ulcerans beta-lactamase 0.004 0.0009 0.0009
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0903 0.0543 0.8064
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Echinococcus granulosus DNA topoisomerase 3 alpha 0.012 0.0058 0.0863
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0004 0.0063
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0083 0.0035 0.0035
Trypanosoma cruzi DNA topoisomerase II, putative 0.0993 0.0599 0.6367
Mycobacterium ulcerans DNA gyrase subunit B 0.1512 0.0921 0.0921
Echinococcus granulosus intermediate filament protein 0.003 0.0002 0.0035
Mycobacterium ulcerans two component regulator - sensor kinase 0.0083 0.0035 0.0035
Mycobacterium ulcerans putative regultory protein 0.0083 0.0035 0.0035
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Echinococcus granulosus geminin 0.0189 0.0101 0.1494
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbB 1.6159 1 1
Giardia lamblia Pms1-like protein 0.0083 0.0035 0.056
Plasmodium vivax hypothetical protein, conserved 0.0083 0.0035 0.0335
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0592 0.0351 0.3809
Echinococcus multilocularis heat shock protein 90 0.0109 0.0051 0.0759
Brugia malayi DNA topoisomerase II, alpha isozyme 0.1113 0.0674 1
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0083 0.0035 0.0379
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.012 0.0058 0.0836
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0083 0.0035 0.0035
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1545 0.0941 1
Plasmodium falciparum DNA topoisomerase 2 0.1113 0.0674 0.7213
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0009 0.0009
Trypanosoma cruzi heat shock protein 85, putative 0.0109 0.0051 0.0543
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Giardia lamblia DNA topoisomerase III 0.012 0.0058 0.0934
Entamoeba histolytica DNA topoisomerase III, putative 0.012 0.0058 0.0112
Leishmania major DNA topoisomerase III, putative 0.012 0.0058 0.0618
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0009 0.0127
Schistosoma mansoni endoplasmin 0.0109 0.0051 0.0727
Trichomonas vaginalis esterase, putative 0.004 0.0009 0.0127
Echinococcus multilocularis rho GTPase activating protein 20 0.012 0.0058 0.0863
Loa Loa (eye worm) hypothetical protein 0.004 0.0009 0.0098
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.012 0.0058 0.0863
Mycobacterium ulcerans glutaminase 0.0304 0.0172 0.0172
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0004 0.0063
Entamoeba histolytica DNA topoisomerase II, putative 0.1113 0.0674 1
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Schistosoma mansoni heat shock protein 0.0109 0.0051 0.0727
Trypanosoma brucei heat shock protein 90, putative 0.0109 0.0051 0.0457
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1062 0.0642 0.9528
Trypanosoma cruzi DNA topoisomerase II, putative 0.0993 0.0599 0.6367
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0083 0.0035 0.0035
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.012 0.0058 0.0863
Brugia malayi GRF zinc finger family protein 0.012 0.0058 0.0831
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0009 0.0093
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.012 0.0058 0.0863
Trichomonas vaginalis heat shock protein, putative 0.0096 0.0043 0.0642
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0083 0.0035 0.0518
Chlamydia trachomatis DNA gyrase subunit A 0.0218 0.0119 0.0951
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 1.6159 1 1
Schistosoma mansoni heat shock protein 0.0109 0.0051 0.0727
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0083 0.0035 0.0518
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0083 0.0035 0.0035
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0009 0.0127
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0083 0.0035 0.0518
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0083 0.0035 0.0518
Loa Loa (eye worm) hypothetical protein 0.0112 0.0053 0.0761
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0083 0.0035 0.0035
Giardia lamblia DNA topoisomerase II 0.1031 0.0623 1
Echinococcus granulosus lamin dm0 0.003 0.0002 0.0035
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0009 0.0127
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0083 0.0035 0.0371
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0083 0.0035 0.0035
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0009 0.0009
Plasmodium vivax DNA topoisomerase II, putative 0.1113 0.0674 0.7307
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0083 0.0035 0.0518
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Onchocerca volvulus 0.0263 0.0146 0.2838
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0009 0.0098
Echinococcus multilocularis geminin 0.0189 0.0101 0.1494
Leishmania major DNA topoisomerase 1A 0.012 0.0058 0.0618
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0009 0.0009
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0004 0.0028
Trypanosoma cruzi heat shock protein 90, putative 0.0095 0.0043 0.0455
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0083 0.0035 0.0379
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0028 0.0295
Loa Loa (eye worm) hypothetical protein 0.004 0.0009 0.0098
Leishmania major DNA topoisomerase III, putative 0.012 0.0058 0.0618
Plasmodium vivax heat shock protein 86, putative 0.0109 0.0051 0.0512
Echinococcus granulosus heat shock protein 90 0.0109 0.0051 0.0759
Echinococcus granulosus DNA topoisomerase 2 alpha 0.1113 0.0674 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0004 0.0028
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0083 0.0035 0.0035
Schistosoma mansoni DNA topoisomerase II 0.1113 0.0674 1
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Onchocerca volvulus 0.004 0.0009 0.0123
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 1.6159 1 1
Mycobacterium tuberculosis Probable two component sensor kinase 0.0083 0.0035 0.0035
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1512 0.0921 0.0921
Leishmania major cathepsin L-like protease 0.0071 0.0028 0.0295
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0083 0.0035 0.0035
Entamoeba histolytica DNA topoisomerase III, putative 0.012 0.0058 0.0112
Echinococcus multilocularis lamin dm0 0.003 0.0002 0.0035
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0009 0.0091
Trichomonas vaginalis heat shock protein, putative 0.0109 0.0051 0.0759
Brugia malayi Endoplasmin precursor 0.0109 0.0051 0.0727
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0018 0.0195
Mycobacterium ulcerans lipase LipD 0.004 0.0009 0.0009
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0083 0.0035 0.0035
Brugia malayi glutaminase DH11.1 0.0304 0.0172 0.2533
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbA (arabinosylindolylacetylinositol synthase) 1.6159 1 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.012 0.0058 0.0805
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0083 0.0035 0.0282
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.1512 0.0921 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0004 0.0063
Brugia malayi DNA topoisomerase III beta-1 0.012 0.0058 0.0831
Brugia malayi Pre-SET motif family protein 0.0231 0.0127 0.1852
Mycobacterium ulcerans DNA gyrase subunit A 0.0592 0.0351 0.0351
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0083 0.0035 0.0035
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0083 0.0035 0.0035
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Loa Loa (eye worm) hypothetical protein 0.004 0.0009 0.0098
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0009 0.0009
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0083 0.0035 0.0379
Loa Loa (eye worm) intermediate filament protein 0.003 0.0002 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Toxoplasma gondii DNA topoisomerase 2, putative 0.1113 0.0674 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0993 0.0599 0.6334
Schistosoma mansoni hypothetical protein 0.0189 0.0101 0.1465
Brugia malayi Pre-SET motif family protein 0.0033 0.0004 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0004 0.0028
Loa Loa (eye worm) hypothetical protein 0.004 0.0009 0.0098
Trypanosoma brucei heat shock protein 90, putative 0.0109 0.0051 0.0457
Brugia malayi Probable DNA topoisomerase II 0.1113 0.0674 1
Giardia lamblia DNA topoisomerase III 0.012 0.0058 0.0934
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Plasmodium vivax DNA gyrase subunit B, putative 0.1512 0.0921 1
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0083 0.0035 0.0035
Brugia malayi beta-lactamase family protein 0.004 0.0009 0.0093
Mycobacterium leprae conserved hypothetical protein 0.004 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0595 0.0352 0.5214
Leishmania major mitochondrial DNA topoisomerase II 0.1545 0.0941 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.012 0.0058 0.0618
Trypanosoma cruzi DNA topoisomerase III, putative 0.012 0.0058 0.0618
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.0127 0.1856
Loa Loa (eye worm) hypothetical protein 0.0595 0.0352 0.5214
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0083 0.0035 0.0458
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0024 0.0254
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Mycobacterium tuberculosis Conserved protein 0.0083 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.003 0.0002 0.0005
Loa Loa (eye worm) hypothetical protein 0.004 0.0009 0.0098
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0083 0.0035 0.0035
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0009 0.0093
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbC 1.6159 1 1
Trypanosoma cruzi DNA topoisomerase III, putative 0.012 0.0058 0.0618
Plasmodium falciparum heat shock protein 90 0.0109 0.0051 0.0184
Toxoplasma gondii heat shock protein 90, putative 0.0109 0.0051 0.0701
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0083 0.0035 0.0458
Echinococcus granulosus lamin 0.003 0.0002 0.0035
Loa Loa (eye worm) hypothetical protein 0.0112 0.0053 0.0761
Leishmania major hypothetical protein, conserved 0.004 0.0009 0.0091
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0009 0.0127
Chlamydia trachomatis DNA topoisomerase I 0.012 0.0058 0.0262
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.012 0.0058 0.0631
Leishmania major developmentally regulated phosphoprotein-like protein 0.0083 0.0035 0.0371
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Loa Loa (eye worm) DNA topoisomerase III 0.012 0.0058 0.0836
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0083 0.0035 0.0035
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0592 0.0351 0.0351
Trichomonas vaginalis receptor histidine kinase, putative 0.0083 0.0035 0.0518
Schistosoma mansoni glutaminase 0.0304 0.0172 0.2533
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0009 0.0009
Trypanosoma brucei DNA topoisomerase IA, putative 0.012 0.0058 0.0531
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0003 0.0052
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0009 0.0009
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.012 0.0058 0.0058
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0544 0.0321 0.0321
Schistosoma mansoni pyruvate dehydrogenase 0.0083 0.0035 0.0485
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0083 0.0035 0.0518
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.1113 0.0674 1
Plasmodium falciparum DNA topoisomerase 3, putative 0.012 0.0058 0.0262
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0083 0.0035 0.0035
Mycobacterium ulcerans two component sensor kinase MprB 0.0083 0.0035 0.0035
Chlamydia trachomatis DNA gyrase subunit B 0.108 0.0653 0.6979
Mycobacterium tuberculosis Conserved protein 0.004 0.0009 0.0009
Trichomonas vaginalis endoplasmin, putative 0.0096 0.0043 0.0642
Plasmodium vivax hypothetical protein, conserved 0.004 0.0009 0.0047
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0009 0.0127
Mycobacterium tuberculosis Conserved protein 0.004 0.0009 0.0009
Trichomonas vaginalis glutaminase, putative 0.0304 0.0172 0.2559
Trypanosoma cruzi Heat shock protein 83, putative 0.0109 0.0051 0.0543
Schistosoma mansoni endoplasmin 0.0109 0.0051 0.0727
Loa Loa (eye worm) endoplasmin 0.0109 0.0051 0.0732
Trypanosoma brucei DNA topoisomerase ii 0.1545 0.0941 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0849 0.051 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0083 0.0035 0.0518
Plasmodium falciparum DNA gyrase subunit B 0.1512 0.0921 1
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 1.6159 1 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0083 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0033
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0083 0.0035 0.0518
Loa Loa (eye worm) hypothetical protein 0.0511 0.03 0.444
Onchocerca volvulus 0.012 0.0058 0.1099
Onchocerca volvulus 0.0033 0.0004 0.0037
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Leishmania major heat shock protein 83-1 0.0109 0.0051 0.0543
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0199 0.0107 0.0107
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0849 0.051 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0009 0.0127
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0009 0.0093
Plasmodium falciparum endoplasmin, putative 0.0096 0.0043 0.0095
Chlamydia trachomatis DNA gyrase subunit B 0.1512 0.0921 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0004 0.0028
Brugia malayi DNA topoisomerase III 0.012 0.0058 0.0831
Schistosoma mansoni hypothetical protein 0.0189 0.0101 0.1465
Echinococcus multilocularis lamin 0.003 0.0002 0.0035
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0028 0.0295
Trypanosoma cruzi DNA topoisomerase IA, putative 0.012 0.0058 0.0618
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0009 0.0091
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.0028 0.0295
Echinococcus granulosus heat shock protein 0.0109 0.0051 0.0759
Brugia malayi heat shock protein 90 0.0109 0.0051 0.0727
Mycobacterium leprae Probable two component sensor kinase MprB 0.0083 0.0035 0.0035
Loa Loa (eye worm) glutaminase 0.0304 0.0172 0.2536
Leishmania major cathepsin L-like protease 0.0071 0.0028 0.0295
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0083 0.0035 0.0035
Trypanosoma cruzi heat shock protein 85, putative 0.0109 0.0051 0.0543
Plasmodium vivax endoplasmin, putative 0.0109 0.0051 0.0512
Loa Loa (eye worm) hypothetical protein 0.004 0.0009 0.0098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Mycobacterium tuberculosis Possible two component sensor kinase 0.0083 0.0035 0.0035
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0993 0.0599 0.6334
Loa Loa (eye worm) heat shock protein 90 0.0109 0.0051 0.0732
Trypanosoma brucei heat shock protein, putative 0.0109 0.0051 0.0457
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0002 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0028 0.0206
Leishmania major DNA topoisomerase ii 0.0993 0.0599 0.6367
Leishmania major cathepsin L-like protease 0.0071 0.0028 0.0295
Chlamydia trachomatis DNA gyrase subunit A 0.0592 0.0351 0.3565
Giardia lamblia Heat shock protein HSP 90-alpha 0.0109 0.0051 0.0822
Loa Loa (eye worm) hypothetical protein 0.0112 0.0053 0.0761

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0 ug ml-1 Effective concentration against HIV-1 replication in H9 lymphocytic cells; No suppression ChEMBL. 12729671
IC50 (functional) = 2.15 ug ml-1 Concentration that inhibits uninfected H9 cell growth by 50%. ChEMBL. 12729671
IC50 (functional) = 2.15 ug ml-1 Concentration that inhibits uninfected H9 cell growth by 50%. ChEMBL. 12729671

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12729671

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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