Detailed information for compound 67846

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 582.064 | Formula: C31H34ClN2O7-
  • H donors: 1 H acceptors: 2 LogP: 5.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(cc(c1O)OC)[C@@H]1[C@@H]2C(=O)OCC2[C@H](c2c1cc1OCOc1c2)CCN(N(c1ccccc1)C)C.[Cl-]
  • InChi: 1S/C31H34N2O7.ClH/c1-32(33(2)19-8-6-5-7-9-19)11-10-20-21-14-24-25(40-17-39-24)15-22(21)28(29-23(20)16-38-31(29)35)18-12-26(36-3)30(34)27(13-18)37-4;/h5-9,12-15,20,23,28-29,34H,10-11,16-17H2,1-4H3;1H/p-1/t20-,23?,28-,29+;/m1./s1
  • InChiKey: WQTVCOAPNUWJII-WCSCJQKSSA-M  


Substructure search Similarity search

Network

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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
Brugia malayi kinase, mitochondrial precursor 0.4403 0.3858 0.3827
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.1539 0.1324 0.8409
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0348 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) hypothetical protein 0.0245 0.0179 0.0171
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0245 0.0179 0.5
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Onchocerca volvulus 0.0348 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0245 0.0179 0.5
Plasmodium vivax hypothetical protein, conserved 0.0245 0.0179 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1784 0.1541 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 1.1344 1 1
Chlamydia trachomatis DNA gyrase subunit B 0.0245 0.0179 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0348 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Schistosoma mansoni endoplasmin 0.0245 0.0179 0.0147
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0245 0.0179 0.5
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0245 0.0179 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Chlamydia trachomatis DNA gyrase subunit B 0.0245 0.0179 0.5
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Mycobacterium leprae Probable two-component sensor kinase 0.0245 0.0179 0.5
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0245 0.0179 0.0179
Brugia malayi Protein-tyrosine phosphatase 0.0348 0.027 0.0221
Onchocerca volvulus 0.0348 0.027 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0245 0.0179 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0348 0.027 0.027
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) hypothetical protein 0.0245 0.0179 0.0171
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0245 0.0179 0.5
Onchocerca volvulus 0.0348 0.027 1
Onchocerca volvulus 0.0348 0.027 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.1539 0.1324 0.3113
Brugia malayi hypothetical protein 0.0348 0.027 0.0221
Brugia malayi hypothetical protein 0.0348 0.027 0.0221
Plasmodium falciparum endoplasmin, putative 0.0245 0.0179 0.5
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0245 0.0179 0.5
Onchocerca volvulus 0.0348 0.027 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0245 0.0179 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0348 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Trypanosoma brucei developmentally regulated phosphoprotein 0.4403 0.3858 1
Mycobacterium tuberculosis Possible two component sensor kinase 0.0245 0.0179 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0348 0.027 0.027
Plasmodium vivax DNA gyrase subunit B, putative 0.0245 0.0179 0.5
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0245 0.0179 0.5
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0348 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0245 0.0179 0.5
Onchocerca volvulus 4.1 G protein, putative homolog 0.0348 0.027 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Mycobacterium ulcerans two component sensor kinase MprB 0.0245 0.0179 0.5
Schistosoma mansoni pcd6 interacting protein-related 0.0348 0.027 0.0239
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0348 0.027 0.0221
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0348 0.027 0.027
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0348 0.027 0.0239
Plasmodium vivax endoplasmin, putative 0.0245 0.0179 0.5
Onchocerca volvulus 0.0348 0.027 1
Onchocerca volvulus 0.0348 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Trypanosoma brucei protein tyrosine phosphatase 1 0.0348 0.027 0.0247
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0348 0.027 0.0262
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0348 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Plasmodium falciparum DNA gyrase subunit B 0.0245 0.0179 0.5
Leishmania major tyrosine specific protein phosphatase, putative 0.0348 0.027 0.0247
Onchocerca volvulus 0.0348 0.027 1
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0245 0.0179 0.5
Mycobacterium tuberculosis Probable two component sensor kinase 0.0245 0.0179 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0348 0.027 0.027
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0348 0.027 1
Onchocerca volvulus 0.0348 0.027 1
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0348 0.027 0.027
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0245 0.0179 0.5
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0245 0.0179 0.5
Schistosoma mansoni DNA topoisomerase II 0.0245 0.0179 0.0147
Brugia malayi hypothetical protein 0.0348 0.027 0.0221
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0348 0.027 0.0239
Mycobacterium leprae Probable two component sensor kinase MprB 0.0245 0.0179 0.5
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Onchocerca volvulus 0.0348 0.027 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.4403 0.3858 0.3858
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.4403 0.3858 0.3858
Schistosoma mansoni protein tyrosine phosphatase 0.0348 0.027 0.0239
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0348 0.027 0.0239
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0245 0.0179 0.0129
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Loa Loa (eye worm) endoplasmin 0.0245 0.0179 0.0171
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) TOPoisomerase family member 0.0245 0.0179 0.0171
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0245 0.0179 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0348 0.027 0.0247
Brugia malayi Protein-tyrosine phosphatase 1 0.0348 0.027 0.0221
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0348 0.027 0.0221
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Onchocerca volvulus 0.0348 0.027 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Echinococcus multilocularis heat shock protein 90 0.0245 0.0179 0.0179
Onchocerca volvulus 0.0348 0.027 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0348 0.027 0.0239
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Plasmodium vivax DNA topoisomerase II, putative 0.0245 0.0179 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Onchocerca volvulus 0.0348 0.027 1
Onchocerca volvulus 0.0348 0.027 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0018 0.0009
Giardia lamblia Protein tyrosine phosphatase 0.0348 0.027 1
Mycobacterium tuberculosis Conserved protein 0.0245 0.0179 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0348 0.027 0.0247
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0348 0.027 0.027
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.0051 0.0051
Onchocerca volvulus 0.0348 0.027 1
Brugia malayi Protein-tyrosine phosphatase 0.0348 0.027 0.0221
Onchocerca volvulus 0.0348 0.027 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0245 0.0179 0.0179
Loa Loa (eye worm) protein-tyrosine phosphatase 1.1344 1 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.4403 0.3858 0.3858
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) heat shock protein 90 0.0245 0.0179 0.0171
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Onchocerca volvulus 0.0348 0.027 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0348 0.027 0.0239
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Schistosoma mansoni heat shock protein 0.0245 0.0179 0.0147
Brugia malayi Endoplasmin precursor 0.0245 0.0179 0.0129
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0348 0.027 0.0239
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.4403 0.3858 1
Schistosoma mansoni endoplasmin 0.0245 0.0179 0.0147
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0245 0.0179 0.5
Onchocerca volvulus 0.0348 0.027 1
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0245 0.0179 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0348 0.027 0.0239
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0245 0.0179 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.0051 0.0051
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Echinococcus multilocularis heat shock protein 0.0245 0.0179 0.0179
Onchocerca volvulus 0.0348 0.027 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0245 0.0179 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Echinococcus granulosus tyrosine protein phosphatase non receptor type 1.1344 1 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0348 0.027 0.0247
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0245 0.0179 0.5
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.1539 0.1324 0.3113
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Trichomonas vaginalis pten, drome, putative 0.0348 0.027 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Schistosoma mansoni pyruvate dehydrogenase 0.4158 0.3641 0.3621
Schistosoma mansoni heat shock protein 0.0245 0.0179 0.0147
Echinococcus granulosus heat shock protein 0.0245 0.0179 0.0179
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0348 0.027 0.0239
Onchocerca volvulus 0.0348 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0245 0.0179 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Mycobacterium ulcerans two component regulator - sensor kinase 0.0245 0.0179 0.5
Onchocerca volvulus 0.0348 0.027 1
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0348 0.027 0.0247
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0245 0.0179 0.5
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.1539 0.1324 0.3113
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0245 0.0179 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0348 0.027 0.027
Plasmodium falciparum heat shock protein 90 0.0245 0.0179 0.5
Onchocerca volvulus 0.0348 0.027 1
Loa Loa (eye worm) hypothetical protein 0.4403 0.3858 0.3853
Onchocerca volvulus 0.0348 0.027 1
Schistosoma mansoni protein tyrosine phosphatase 0.0348 0.027 0.0239
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0245 0.0179 0.0129
Brugia malayi hypothetical protein 0.0348 0.027 0.0221
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0245 0.0179 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 1.1344 1 1
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0348 0.027 0.0239
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Plasmodium vivax heat shock protein 86, putative 0.0245 0.0179 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Leishmania major developmentally regulated phosphoprotein-like protein 0.4403 0.3858 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Echinococcus multilocularis 0.0348 0.027 0.027
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0348 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0348 0.027 0.0262
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0245 0.0179 0.5
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0348 0.027 0.0239
Plasmodium falciparum DNA topoisomerase 2 0.0245 0.0179 0.5
Brugia malayi hypothetical protein 0.0348 0.027 0.0221
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Schistosoma mansoni pyruvate dehydrogenase 0.4403 0.3858 0.3838
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0348 0.027 0.0262
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0348 0.027 0.027
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0348 0.027 0.027
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0348 0.027 0.027
Echinococcus multilocularis hypothetical protein 0.0348 0.027 0.027
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Mycobacterium ulcerans putative regultory protein 0.0245 0.0179 0.5
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0245 0.0179 0.5
Loa Loa (eye worm) protein tyrosine phosphatase 0.0348 0.027 0.0262
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0348 0.027 0.0239
Echinococcus granulosus protein tyrosine phosphatase n9 0.0348 0.027 0.027
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0348 0.027 0.0262
Brugia malayi Probable DNA topoisomerase II 0.0245 0.0179 0.0129
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0348 0.027 0.0239
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0245 0.0179 0.5
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0348 0.027 0.0239
Schistosoma mansoni pyruvate dehydrogenase 0.4158 0.3641 0.3621
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0348 0.027 0.027
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0348 0.027 0.027
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0245 0.0179 0.5
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0245 0.0179 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0348 0.027 0.0262
Schistosoma mansoni protein tyrosine phosphatase 0.0348 0.027 0.0239
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Brugia malayi heat shock protein 90 0.0245 0.0179 0.0129
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0348 0.027 0.0262
Mycobacterium ulcerans DNA gyrase subunit B 0.0245 0.0179 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0348 0.027 0.0221
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0348 0.027 0.0239
Echinococcus granulosus heat shock protein 90 0.0245 0.0179 0.0179
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0348 0.027 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 0.000001 M Cytotoxicity against P388 leukemia ChEMBL. 8389875
IC50 (binding) 0 uM Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control; Not tested ChEMBL. 8389875
IC50 (binding) 0 uM Inhibition of DNA topoisomerase II from Rat Liver measured as 50% reduction in the amount of minicircle DNA relative to the control; Not tested ChEMBL. 8389875

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.
 
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

1 literature reference was collected for this gene.

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