Detailed information for compound 1829228

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 541.477 | Formula: C28H33BrN2O4
  • H donors: 1 H acceptors: 1 LogP: 4.91 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(CN1CCN(CC1)c1ccccc1OCc1ccccc1)COCCOc1ccc(cc1)Br
  • InChi: 1S/C28H33BrN2O4/c29-24-10-12-26(13-11-24)34-19-18-33-22-25(32)20-30-14-16-31(17-15-30)27-8-4-5-9-28(27)35-21-23-6-2-1-3-7-23/h1-13,25,32H,14-22H2
  • InChiKey: LNLXNAYHGCUDGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus 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
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
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
Entamoeba histolytica 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
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
Trypanosoma congolense Heat shock protein 83, putative 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
Plasmodium vivax endoplasmin, 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
Trypanosoma brucei heat shock protein, 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
Cryptosporidium hominis heat shock protein 83 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
Leishmania major heat shock protein 83-1 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
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
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
Trypanosoma cruzi heat shock protein 90, 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
Trichomonas vaginalis 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
Leishmania major heat shock protein 83-1 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
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor 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
Leishmania donovani heat shock protein 83-1 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
Candida albicans 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
Wolbachia endosymbiont of Brugia malayi 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
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 brucei gambiense heat shock protein 83,heat shock protein 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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin 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
Trypanosoma cruzi Heat shock protein 83, putative 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
Trypanosoma brucei gambiense Heat shock protein 83, 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
Schistosoma mansoni endoplasmin 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
Echinococcus multilocularis heat shock protein 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 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
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 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
Leishmania major heat shock protein 83-1 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
Trypanosoma brucei heat shock protein, 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
Loa Loa (eye worm) endoplasmin 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
Candida albicans heat shock protein 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
Babesia bovis hsp90 protein 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
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
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
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
Schistosoma japonicum Heat shock protein 83, 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
Echinococcus granulosus 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
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing 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
Echinococcus granulosus heat shock protein 90 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
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 multilocularis heat shock protein 90 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 knowlesi 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
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 braziliensis 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
Brugia malayi heat shock protein 90 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
Echinococcus multilocularis 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
Trypanosoma brucei heat shock protein 90, 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
Leishmania major heat shock protein 83-1 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
Cryptosporidium parvum Hsp90 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 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
Giardia lamblia Heat shock protein HSP 90-alpha 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
Trypanosoma cruzi heat shock protein 90, putative 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
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related 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 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
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 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
Schistosoma mansoni nuclear hormone receptor 0.0032 0.6778 0.6778
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.6778 0.6778
Brugia malayi ecdysteroid receptor 0.0032 0.6778 0.6778
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.6778 0.6778
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0306 0.0306
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.6778 0.6778
Trichomonas vaginalis heat shock protein, putative 0.0031 0.655 0.655
Leishmania major heat shock protein 83-1 0.0039 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.6778 0.6778
Schistosoma mansoni heat shock protein 0.0039 1 1
Echinococcus multilocularis heat shock protein 0.0039 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.6778 0.6778
Schistosoma mansoni thyroid hormone receptor 0.0032 0.6778 0.6778
Brugia malayi hypothetical protein 0.0017 0.0306 0.0306
Trypanosoma brucei Heat shock protein 83, putative 0.0039 1 1
Echinococcus multilocularis endoplasmin 0.0031 0.655 0.655
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.3058 0.3058
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.6778 0.6778
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.6778 0.6778
Echinococcus granulosus endoplasmin 0.0031 0.655 0.655
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.0306
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.6778 0.6778
Toxoplasma gondii heat shock protein HSP90 0.0039 1 1
Echinococcus granulosus heat shock protein 90 0.0039 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.6778 0.6778
Brugia malayi hypothetical protein 0.0017 0.0306 0.0306
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0306 0.0306
Echinococcus multilocularis heat shock protein 90 0.0031 0.655 0.655
Brugia malayi nuclear receptor RXR 0.0017 0.0306 0.0306
Loa Loa (eye worm) endoplasmin 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.6778 0.6778
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.6778 0.6778
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.6778 0.6778
Treponema pallidum heat shock protein 90 0.0031 0.655 0.5
Brugia malayi steroid hormone receptor 0.0032 0.6778 0.6778
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Trichomonas vaginalis heat shock protein, putative 0.0024 0.345 0.345
Trypanosoma cruzi heat shock protein 90, putative 0.0039 1 1
Brugia malayi nuclear hormone receptor 0.0032 0.6778 0.6778
Trichomonas vaginalis endoplasmin, putative 0.0024 0.345 0.345
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.6778 0.6778
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.6778 0.6778
Schistosoma mansoni coup transcription factor 0.0032 0.6778 0.6778
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.6778 0.6778
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.6778 0.6778
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.6778 0.6778
Entamoeba histolytica heat shock protein 90, putative 0.0039 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.6778 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.6778 0.6778
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.6778 0.6778
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.6778 0.6778
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.6778 0.6778
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.655 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.0306
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.655 0.655
Onchocerca volvulus 0.0032 0.6778 1
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.655 0.655
Leishmania major heat shock protein 83-1 0.0039 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0039 1 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.655 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.6778 0.6778
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.6778 0.6778
Plasmodium vivax endoplasmin, putative 0.0039 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.0306
Plasmodium vivax heat shock protein 86, putative 0.0039 1 1
Leishmania major heat shock protein 83-1 0.0039 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.6778 0.6778
Schistosoma mansoni heat shock protein 0.0039 1 1
Plasmodium falciparum heat shock protein 90 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.6778 0.6778
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.6778 0.6778
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Leishmania major heat shock protein 83-1 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.0306
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.6778 0.6778
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Brugia malayi nuclear receptor NHR-88 0.0032 0.6778 0.6778
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.6778 0.6778
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.6778 0.6778
Echinococcus granulosus heat shock protein 90 0.0031 0.655 0.655
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0306 0.0306
Leishmania major heat shock protein 83-1 0.0039 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.6778 0.6778
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.6778 0.6778
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.6778 0.6778
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Echinococcus granulosus heat shock protein 0.0039 1 1
Leishmania major heat shock protein 83-1 0.0039 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.6778 0.6778
Leishmania major heat shock protein 83-1 0.0039 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 1 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.655 0.655
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Mycobacterium ulcerans heat shock protein 90 0.0031 0.655 0.5
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Trichomonas vaginalis heat shock protein, putative 0.0039 1 1
Schistosoma mansoni endoplasmin 0.0039 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Echinococcus multilocularis heat shock protein 90 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.6778 0.6778
Entamoeba histolytica heat shock protein 90, putative 0.0039 1 1
Loa Loa (eye worm) heat shock protein 90 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0306 0.0306
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.6778 0.6778
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.6778 0.6778
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.6778 0.6778
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Schistosoma mansoni endoplasmin 0.0039 1 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0031 0.655 0.655
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.6778 0.6778
Trichomonas vaginalis heat shock protein, putative 0.0031 0.655 0.655
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.6778 0.6778
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.6778 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.6778 0.6778
Trypanosoma cruzi heat shock protein 85, putative 0.0039 1 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.655 0.655
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0306 0.0306
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0306 0.0306
Leishmania major heat shock protein 83-1 0.0039 1 1
Plasmodium falciparum endoplasmin, putative 0.0024 0.345 0.345
Trypanosoma brucei heat shock protein 90, putative 0.0039 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0306 0.0306
Schistosoma mansoni thyroid hormone receptor 0.0032 0.6778 0.6778
Trypanosoma brucei heat shock protein, putative 0.0039 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.6778 0.6778
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.6778 1
Toxoplasma gondii heat shock protein 90, putative 0.0039 1 1
Leishmania major heat shock protein 83-1 0.0039 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.655 0.5
Echinococcus granulosus FTZ F1 alpha 0.0032 0.6778 0.6778
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.6778 0.6778
Trypanosoma cruzi heat shock protein 85, putative 0.0039 1 1
Brugia malayi heat shock protein 90 0.0039 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.6778 0.6778

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.67 uM Inhibition of full-length Hsp90-ATPase activity (unknown origin) assessed as inhibition of ATP hydrolysis by spectrophotometry ChEMBL. 24582477
IC50 (functional) = 12.34 uM Antiproliferative activity against human HCT116 cells assessed as inhibition of cell viability after 48 hrs by MTT assay ChEMBL. 24582477

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 24582477

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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