Detailed information for compound 336419

Basic information

Technical information
  • TDR Targets ID: 336419
  • Name: 8-(2-chloro-5-methoxyphenyl)sulfanyl-9-pent-4 -ynylpurin-6-amine
  • MW: 373.86 | Formula: C17H16ClN5OS
  • H donors: 1 H acceptors: 3 LogP: 3.57 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#CCCCn1c(Sc2cc(OC)ccc2Cl)nc2c1ncnc2N
  • InChi: 1S/C17H16ClN5OS/c1-3-4-5-8-23-16-14(15(19)20-10-21-16)22-17(23)25-13-9-11(24-2)6-7-12(13)18/h1,6-7,9-10H,4-5,8H2,2H3,(H2,19,20,21)
  • InChiKey: ZODASEFDXYBTCV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(2-chloro-5-methoxy-phenyl)sulfanyl-9-pent-4-ynyl-purin-6-amine
  • 8-[(2-chloro-5-methoxyphenyl)thio]-9-pent-4-ynyl-6-purinamine
  • [8-[(2-chloro-5-methoxy-phenyl)thio]-9-pent-4-ynyl-purin-6-yl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus heat shock protein 90, alpha (cytosolic), class A member 1 Starlite/ChEMBL References
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class B member 1 Starlite/ChEMBL References
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class A member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein HSP90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax heat shock protein 86, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum heat shock protein 90, putative heat shock protein 90, alpha (cytosolic), class A member 1 733 aa 745 aa 35.0 %
Plasmodium falciparum heat shock protein 90, putative heat shock protein 90kDa alpha (cytosolic), class B member 1 724 aa 725 aa 35.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0071 0.1085 0.3063
Brugia malayi Probable DNA topoisomerase II 0.008 0.1507 0.4335
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0094 0.2156 0.6087
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0123 0.3541 1
Trypanosoma cruzi heat shock protein 85, putative 0.0122 0.3477 0.9817
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Schistosoma mansoni DNA topoisomerase II 0.008 0.1507 0.4335
Plasmodium vivax DNA gyrase subunit A, putative 0.0259 1 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.008 0.1507 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0149 0.4759 0.4759
Plasmodium falciparum DNA topoisomerase 2 0.008 0.1507 0.1507
Loa Loa (eye worm) endoplasmin 0.0122 0.3477 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0149 0.4759 0.3319
Schistosoma mansoni endoplasmin 0.0122 0.3477 1
Echinococcus granulosus heat shock protein 90 0.0122 0.3477 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0071 0.1085 0.3063
Trypanosoma brucei heat shock protein 90, putative 0.0122 0.3477 0.9817
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0096 0.2266 0.2266
Trypanosoma brucei DNA topoisomerase ii 0.0123 0.3541 1
Leishmania major mitochondrial DNA topoisomerase II 0.0123 0.3541 1
Trichomonas vaginalis heat shock protein, putative 0.0094 0.2156 0.62
Plasmodium vivax heat shock protein 86, putative 0.0122 0.3477 0.3477
Onchocerca volvulus DNA topoisomerase 2 homolog 0.008 0.1507 1
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Trichomonas vaginalis heat shock protein, putative 0.0122 0.3477 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0124 0.3571 1
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Mycobacterium ulcerans DNA gyrase subunit A 0.0259 1 1
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Giardia lamblia Heat shock protein HSP 90-alpha 0.0094 0.2156 0.5985
Trichomonas vaginalis endoplasmin, putative 0.0076 0.1321 0.38
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Trichomonas vaginalis heat shock protein, putative 0.0094 0.2156 0.62
Trichomonas vaginalis heat shock protein, putative 0.0076 0.1321 0.38
Echinococcus granulosus heat shock protein 90 0.0094 0.2156 0.62
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0094 0.2156 0.62
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Trypanosoma cruzi DNA topoisomerase II, putative 0.0071 0.1085 0.3063
Trypanosoma cruzi heat shock protein 90, putative 0.0122 0.3477 0.9817
Loa Loa (eye worm) TOPoisomerase family member 0.008 0.1507 0.4335
Plasmodium vivax endoplasmin, putative 0.0122 0.3477 0.3477
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Entamoeba histolytica heat shock protein 90, putative 0.0122 0.3477 1
Echinococcus granulosus endoplasmin 0.0094 0.2156 0.62
Echinococcus multilocularis heat shock protein 90 0.0094 0.2156 0.62
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Trypanosoma cruzi heat shock protein 90, putative 0.0073 0.1192 0.3365
Trypanosoma cruzi heat shock protein 85, putative 0.0122 0.3477 0.9817
Plasmodium vivax DNA topoisomerase II, putative 0.008 0.1507 0.1507
Trypanosoma cruzi heat shock protein 85, putative 0.0122 0.3477 0.9817
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Schistosoma mansoni heat shock protein 0.0122 0.3477 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.008 0.1507 0.4335
Brugia malayi heat shock protein 90 0.0122 0.3477 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.008 0.1507 0.1507
Giardia lamblia Grp94/Hsp90 0.0094 0.2156 0.5985
Plasmodium falciparum endoplasmin, putative 0.0076 0.1321 0.1321
Trypanosoma cruzi Heat shock protein 83, putative 0.0122 0.3477 0.9817
Brugia malayi DNA topoisomerase II, alpha isozyme 0.008 0.1507 0.4335
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Schistosoma mansoni heat shock protein 0.0122 0.3477 1
Schistosoma mansoni endoplasmin 0.0122 0.3477 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.008 0.1507 0.4335
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0123 0.3541 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0259 1 1
Echinococcus multilocularis heat shock protein 0.0122 0.3477 1
Toxoplasma gondii heat shock protein HSP90 0.0122 0.3477 0.3477
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0149 0.4759 0.3319
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0259 1 1
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Trypanosoma brucei heat shock protein 90, putative 0.0122 0.3477 0.9817
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Loa Loa (eye worm) heat shock protein 90 0.0122 0.3477 1
Echinococcus multilocularis heat shock protein 90 0.0122 0.3477 1
Brugia malayi Endoplasmin precursor 0.0122 0.3477 1
Toxoplasma gondii heat shock protein 90, putative 0.0122 0.3477 0.3477
Leishmania major DNA topoisomerase ii 0.0071 0.1085 0.3063
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Giardia lamblia Heat shock protein HSP 90-alpha 0.0122 0.3477 1
Echinococcus granulosus heat shock protein 0.0122 0.3477 1
Trypanosoma cruzi heat shock protein 85, putative 0.0094 0.2156 0.6087
Entamoeba histolytica heat shock protein 90, putative 0.0122 0.3477 1
Trypanosoma brucei Heat shock protein 83, putative 0.0122 0.3477 0.9817
Entamoeba histolytica DNA topoisomerase II, putative 0.008 0.1507 0.4335
Trypanosoma cruzi DNA topoisomerase II, putative 0.0071 0.1085 0.3063
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Echinococcus multilocularis endoplasmin 0.0094 0.2156 0.62
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.008 0.1507 0.4335
Chlamydia trachomatis DNA gyrase subunit B 0.0149 0.4759 0.2796
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0259 1 1
Plasmodium falciparum DNA gyrase subunit A 0.0259 1 1
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.008 0.1507 0.4335
Plasmodium falciparum heat shock protein 90 0.0122 0.3477 0.3477
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Leishmania major heat shock protein 83-1 0.0122 0.3477 0.9817
Trichomonas vaginalis heat shock protein, putative 0.0094 0.2156 0.62
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0259 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0094 0.2156 0.6087
Trypanosoma brucei heat shock protein, putative 0.0122 0.3477 0.9817
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0149 0.4759 0.3319
Plasmodium falciparum DNA gyrase subunit B 0.0149 0.4759 0.4759
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0149 0.4759 0.3319
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.008 0.1507 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.2 uM Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha ChEMBL. 15828828
EC50 (binding) = 0.2 uM Displacement of 5 nM GM-BODIPY from mouse heat shock protein HSP90-alpha ChEMBL. 15828828
EC50 (functional) = 0.31 uM Effective concentration against heat shock protein HSP90-alpha in SKBr3 cells ChEMBL. 15828828
EC50 (functional) = 0.31 uM Effective concentration against heat shock protein HSP90-alpha in SKBr3 cells ChEMBL. 15828828
EC50 (binding) = 9.6 uM Effective concentration of compound against heat shock protein HSP90 determined in normal lung cells ChEMBL. 15828828
EC50 (binding) = 9.6 uM Effective concentration of compound against heat shock protein HSP90 determined in normal lung cells ChEMBL. 15828828
EC50 (binding) = 18.9 uM Effective concentration of compound against heat shock protein HSP90 determined in normal heart cells ChEMBL. 15828828
EC50 (binding) = 18.9 uM Effective concentration of compound against heat shock protein HSP90 determined in normal heart cells ChEMBL. 15828828
EC50 (binding) = 44.9 uM Effective concentration of compound against heat shock protein HSP90 determined in normal brain cells ChEMBL. 15828828
EC50 (binding) = 44.9 uM Effective concentration of compound against heat shock protein HSP90 determined in normal brain cells ChEMBL. 15828828
IC50 (functional) = 3.2 uM Inhibitory concentration against SKBr3 cell line ChEMBL. 15828828
IC50 (functional) = 3.2 uM Inhibitory concentration against SKBr3 cell line ChEMBL. 15828828
IC50 (functional) = 3.5 uM Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells ChEMBL. 15828828
IC50 (functional) = 3.5 uM Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells ChEMBL. 15828828
IC50 (functional) = 28.7 uM Inhibitory concentration of compound against human renal proximal tubular epithelial cells (RPTEC) was determined ChEMBL. 15828828
IC50 (functional) = 28.7 uM Inhibitory concentration of compound against human renal proximal tubular epithelial cells (RPTEC) was determined ChEMBL. 15828828
Selectivity (functional) = 9 Selective inhibition for renal proximal tubular epithelial cells (RPTEC) to that of SKBr3 cells ChEMBL. 15828828
Selectivity (functional) = 55 Selective binding towards heat shock protein HSP90 of normal heart cell to that of SKBr3 cells ChEMBL. 15828828
Selectivity (functional) = 128 Selective binding towards heat shock protein HSP90 of normal brain cell to that of SKBr3 cells ChEMBL. 15828828
Selectivity (functional) > 200 Selective binding towards heat shock protein HSP90 of normal lung cell to that of SKBr3 cells ChEMBL. 15828828

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15828828

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

1 literature reference was collected for this gene.

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