Detailed information for compound 1988657

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 523.559 | Formula: C26H30FN7O4
  • H donors: 3 H acceptors: 5 LogP: 2.04 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCC[C@@H](C(=O)N(C)C)ONC1=N[C@H](Cc2c1c(C)nc(n2)N)c1ccc(cc1c1cccc(n1)OC)F
  • InChi: 1S/C26H30FN7O4/c1-14-23-20(32-26(28)29-14)13-19(31-24(23)33-38-21(10-11-35)25(36)34(2)3)16-9-8-15(27)12-17(16)18-6-5-7-22(30-18)37-4/h5-9,12,19,21,35H,10-11,13H2,1-4H3,(H,31,33)(H2,28,29,32)/t19-,21+/m1/s1
  • InChiKey: DRQRNJQGXVDZBU-CTNGQTDRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 A member 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 83, 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 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
Theileria parva heat shock protein 90 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 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
Schistosoma japonicum 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
Schistosoma mansoni endoplasmin 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
Entamoeba histolytica 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
Leishmania major heat shock protein 83-1 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 major heat shock protein 83-1 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-alpha, 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 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
Plasmodium yoelii putative heat shock protein 81-2 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
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
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
Plasmodium vivax endoplasmin, putative 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
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
Leishmania braziliensis 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
Trichomonas vaginalis heat shock protein, 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
Plasmodium knowlesi endoplasmin, 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
Leishmania major heat shock protein 83-1 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
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
Leishmania major heat shock protein 83-1 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 donovani 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
Plasmodium vivax heat shock protein 86, 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
Trypanosoma brucei heat shock protein, putative 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
Leishmania infantum 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 multilocularis 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
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
Neospora caninum HSP90, related 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
Loa Loa (eye worm) 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
Candida albicans 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
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
Leishmania major heat shock protein 83-1 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 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 90, 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
Trypanosoma cruzi heat shock protein 85, 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
Echinococcus multilocularis heat shock protein 90 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
Trypanosoma brucei heat shock protein, 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
Plasmodium falciparum 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
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 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
Leishmania braziliensis heat shock protein 83-1 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
Echinococcus multilocularis endoplasmin 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
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 lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, 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
Schistosoma mansoni heat shock protein 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
Giardia lamblia Grp94/Hsp90 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
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
Trypanosoma brucei Heat shock protein 83, 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
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor 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 donovani 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
Trypanosoma cruzi 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
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
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
Cryptosporidium hominis heat shock protein 83 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
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
Echinococcus multilocularis nuclear receptor nhr 48 0.0052 0.2626 0.2626
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.011 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.011 1 1
Brugia malayi Nuclear hormone receptor E75 0.0052 0.2626 0.1795
Schistosoma mansoni steroid hormone receptor ad4bp 0.011 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.011 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.011 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0058 0.3415 0.3415
Brugia malayi orphan nuclear receptor NR2E1 0.0052 0.2626 0.1795
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.011 1 1
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.1013 0.5
Schistosoma mansoni coup transcription factor 0.011 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.1013 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0052 0.2626 0.1795
Brugia malayi Nuclear hormone receptor family member nhr-1 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.3415 0.2673
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi hypothetical protein 0.0058 0.3415 0.2673
Brugia malayi Nuclear hormone receptor-like 1 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.1013 0.5
Schistosoma mansoni nuclear receptor 0.0052 0.2626 0.1795
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Brugia malayi ecdysone receptor 0.0052 0.2626 0.1795
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.1013 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.2626 0.2626
Echinococcus multilocularis heat shock protein 0.0039 0.1013 0.1013
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.1013 1
Schistosoma mansoni nuclear hormone receptor 0.011 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.011 1 1
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.1013 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Echinococcus multilocularis ecdysone induced protein 78C 0.011 1 1
Schistosoma mansoni zinc finger protein 0.0052 0.2626 0.1795
Echinococcus multilocularis FTZ F1 alpha 0.011 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0052 0.2626 0.1795
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.011 1 1
Plasmodium falciparum heat shock protein 90 0.0039 0.1013 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.011 1 1
Treponema pallidum heat shock protein 90 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Brugia malayi nuclear hormone receptor 0.011 1 1
Brugia malayi hypothetical protein 0.0058 0.3415 0.2673
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0052 0.2626 0.1795
Echinococcus granulosus nuclear receptor 2DBD gamma 0.011 1 1
Brugia malayi hypothetical protein 0.0052 0.2626 0.1795
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Brugia malayi nuclear receptor NHR-88 0.0052 0.2626 0.1795
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.011 1 1
Schistosoma mansoni thyroid hormone receptor 0.011 1 1
Schistosoma mansoni nuclear hormone receptor 0.0052 0.2626 0.1795
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0058 0.3415 0.2673
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.011 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.1013 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.011 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.011 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.011 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.011 1 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.1013 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0052 0.2626 0.1795
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Brugia malayi tailless protein 0.0052 0.2626 0.1795
Schistosoma mansoni thyroid hormone receptor 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0058 0.3415 0.2673
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0058 0.3415 0.3415
Schistosoma mansoni Tr4/Tr2 (homologue) 0.011 1 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.011 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.1013 0.5
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0 0.5
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi nuclear receptor RXR 0.0058 0.3415 0.2673
Loa Loa (eye worm) hypothetical protein 0.0058 0.3415 0.2673
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.011 1 1
Toxoplasma gondii heat shock protein HSP90 0.0039 0.1013 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0052 0.2626 0.1795
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.1013 1
Brugia malayi conserved hypotetical protein 0.0052 0.2626 0.1795
Schistosoma mansoni RAR-like nuclear receptor 0.011 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0052 0.2626 0.2626
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi Nuclear hormone receptor-like 1 0.0058 0.3415 0.2673
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.011 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.2626 0.2626
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0052 0.2626 0.2626
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.011 1 1
Onchocerca volvulus 0.011 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.011 1 1
Echinococcus granulosus FTZ F1 alpha 0.011 1 1
Mycobacterium ulcerans heat shock protein 90 0.0031 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.011 1 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.011 1 1
Echinococcus granulosus heat shock protein 0.0039 0.1013 0.1013
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Brugia malayi Nuclear hormone receptor family member nhr-19 0.011 1 1
Brugia malayi nuclear hormone receptor 0.0052 0.2626 0.1795
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi photoreceptor-specific nuclear receptor 0.011 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.2626 0.2626
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0052 0.2626 0.2626
Brugia malayi Nuclear hormone receptor family member nhr-19 0.011 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.1013 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.011 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.2626 0.2626
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Onchocerca volvulus Bile acid receptor homolog 0.011 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.011 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0052 0.2626 0.1795
Loa Loa (eye worm) DR-78 0.0052 0.2626 0.1795
Brugia malayi Nuclear hormone receptor E75 0.0052 0.2626 0.1795
Brugia malayi nuclear hormone receptor family member nhr-6 0.0052 0.2626 0.1795
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Schistosoma mansoni nuclear hormone receptor 0.0052 0.2626 0.1795
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.1013 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.2626 0.2626
Echinococcus granulosus ecdysone induced protein 78C 0.011 1 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Echinococcus granulosus heat shock protein 90 0.0039 0.1013 0.1013
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0058 0.3415 0.2673
Brugia malayi nuclear receptor RXR 0.0052 0.2626 0.1795
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Plasmodium vivax heat shock protein 86, putative 0.0039 0.1013 0.5
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Schistosoma mansoni nuclear receptor nhr-48 0.0052 0.2626 0.1795
Schistosoma mansoni nuclear receptor 0.0052 0.2626 0.1795
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.3415 0.2673
Brugia malayi Nuclear hormone receptor family member nhr-14 0.011 1 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.1013 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0052 0.2626 0.1795
Trichomonas vaginalis heat shock protein, putative 0.0039 0.1013 1
Loa Loa (eye worm) steroid hormone receptor 0.011 1 1
Brugia malayi steroid hormone receptor 0.011 1 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.011 1 1
Brugia malayi Steroid receptor seven-up type 2 0.011 1 1
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Brugia malayi hypothetical protein 0.0052 0.2626 0.1795
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.011 1 1
Brugia malayi nuclear receptor NHR-88 0.011 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.011 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.2626 0.2626
Echinococcus granulosus nuclear receptor nhr 48 0.0052 0.2626 0.2626
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.3415 0.2673
Echinococcus granulosus thyroid hormone receptor alpha 0.0052 0.2626 0.2626
Loa Loa (eye worm) hypothetical protein 0.0052 0.2626 0.1795
Loa Loa (eye worm) hypothetical protein 0.0058 0.3415 0.2673
Brugia malayi nuclear receptor NHR-67 0.0052 0.2626 0.1795
Leishmania major heat shock protein 83-1 0.0039 0.1013 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.011 1 1
Plasmodium vivax endoplasmin, putative 0.0039 0.1013 0.5
Echinococcus multilocularis heat shock protein 90 0.0039 0.1013 0.1013
Brugia malayi Nuclear hormone receptor-like 1 0.0058 0.3415 0.2673
Onchocerca volvulus Protein ultraspiracle homolog 0.011 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM BindingDB_Patents: Fluorescence Polarization Assay. An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain of human recombinant HSP90. The reaction can be followed kinetically using fluorescence (excitation lamda==485 nm; emission lamda==538 nm). The binding affinity of the test compound to HSP90 is determined by the changes in the polarized fluorescence; the intensity of the polarized fluorescence is proportional to the fraction of bound probe. To each test well, an aliquot of buffer, 2 ul of test compound in 10% DMSO, 4 ul of 6.25 nM of TSD FP probe, 4 ul of 12.5 nM of purified HSP90a protein were added. For positive control, 1 uM geldanamycin (GM) was used instead of the test compound (GM is a natural benzoquinone ansamycin that is known to bind to the N-terminal ATP-binding pocket of HSP90 and inhibits ATP binding and ATP-dependent chaperone activities). For negative control, no inhibitor was added. ChEMBL. No reference

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

No literature references available for this target.

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