Detailed information for compound 1595626

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.527 | Formula: C23H24N4O3S
  • H donors: 2 H acceptors: 3 LogP: 4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(C)c2cc1C(=O)NCCCOc1cc(Sc3cc2nc(N)n3)ccc1
  • InChi: 1S/C23H24N4O3S/c1-3-29-20-10-14(2)17-12-18(20)22(28)25-8-5-9-30-15-6-4-7-16(11-15)31-21-13-19(17)26-23(24)27-21/h4,6-7,10-13H,3,5,8-9H2,1-2H3,(H,25,28)(H2,24,26,27)
  • InChiKey: KQLVKINWYAUYRA-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 A member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Heat shock protein 83, 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 congolense 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
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
Plasmodium yoelii 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
Echinococcus granulosus heat shock protein 90 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 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
Trypanosoma cruzi 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
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin 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
Toxoplasma gondii heat shock protein 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
Toxoplasma gondii heat shock protein 90, 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
Neospora caninum HSP90-like protein, related 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 infantum 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
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 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 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
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
Theileria parva heat shock protein 90 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 mansoni heat shock protein 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 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 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
Plasmodium vivax heat shock protein 86, 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
Trypanosoma brucei gambiense Heat shock protein 83, 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
Echinococcus multilocularis 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
Brugia malayi heat shock protein 90 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
Loa Loa (eye worm) 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 japonicum ko:K09487 heat shock protein 90kDa beta, 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
Trichomonas vaginalis 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
Loa Loa (eye worm) endoplasmin 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 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
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 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 congolense 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
Schistosoma japonicum Heat shock protein HSP 90-beta, 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
Trichomonas vaginalis 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
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
Entamoeba histolytica heat shock protein 90, 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
Schistosoma mansoni 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 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 major 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
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
Trichomonas vaginalis 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 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
Trypanosoma congolense heat shock protein 90, 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
Schistosoma mansoni endoplasmin 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 gambiense Heat shock protein 83, putative 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
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing 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 infantum heat shock protein 83-1 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 83, 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
Wolbachia endosymbiont of Brugia malayi 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
Trypanosoma brucei 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
Candida albicans hypothetical 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
Leishmania major heat shock protein 83-1 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 brucei heat shock protein, 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
Schistosoma mansoni heat shock protein 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
Plasmodium vivax endoplasmin, 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 gambiense heat shock protein 83,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
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
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Schistosoma mansoni tar DNA-binding protein 0.0074 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0074 1 1
Echinococcus multilocularis endoplasmin 0.0031 0.2758 0.2758
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0031 0.2758 0.2758
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.4125 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.2772 0.2772
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.2758 0.655
Mycobacterium ulcerans heat shock protein 90 0.0031 0.2758 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Echinococcus multilocularis heat shock protein 90 0.0031 0.2758 0.2758
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Echinococcus multilocularis tar DNA binding protein 0.0074 1 1
Schistosoma mansoni lamin 0.0031 0.2772 0.2652
Echinococcus granulosus heat shock protein 0.0039 0.4125 0.4125
Plasmodium falciparum endoplasmin, putative 0.0024 0.1531 0.345
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.2758 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.188 0.4332
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0016 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0026 0.188 0.188
Loa Loa (eye worm) hypothetical protein 0.0031 0.2772 0.2772
Onchocerca volvulus 0.0026 0.188 0.6579
Loa Loa (eye worm) hypothetical protein 0.0026 0.188 0.188
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.4125 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.2758 0.655
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.188 0.5625
Echinococcus granulosus heat shock protein 90 0.0031 0.2758 0.2758
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.1375 0.3058
Brugia malayi Endoplasmin precursor 0.0039 0.4125 0.4027
Trichomonas vaginalis heat shock protein, putative 0.0031 0.2758 0.655
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.2758 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Echinococcus granulosus tar DNA binding protein 0.0074 1 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Brugia malayi TAR-binding protein 0.0074 1 1
Echinococcus multilocularis heat shock protein 90 0.0039 0.4125 0.4125
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.2758 0.655
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.2758 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.4125 1
Echinococcus granulosus endoplasmin 0.0031 0.2758 0.2758
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0285 0.0285
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.4125 1
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.4125 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.188 0.4332
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.4125 1
Trichomonas vaginalis heat shock protein, putative 0.0039 0.4125 1
Loa Loa (eye worm) endoplasmin 0.0039 0.4125 0.4125
Loa Loa (eye worm) TAR-binding protein 0.0074 1 1
Echinococcus multilocularis musashi 0.0031 0.2772 0.2772
Echinococcus multilocularis heat shock protein 0.0039 0.4125 0.4125
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Echinococcus granulosus intermediate filament protein 0.0031 0.2772 0.2772
Loa Loa (eye worm) hypothetical protein 0.002 0.0751 0.0751
Schistosoma mansoni heat shock protein 0.0039 0.4125 0.4027
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.188 0.5989
Echinococcus granulosus lamin 0.0031 0.2772 0.2772
Schistosoma mansoni endoplasmin 0.0039 0.4125 0.4027
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.188 0.5625
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.188 0.4332
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.188 0.5625
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.4125 1
Echinococcus multilocularis lamin dm0 0.0031 0.2772 0.2772
Trichomonas vaginalis heat shock protein, putative 0.0031 0.2758 0.655
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.2674 0.2674
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0751 0.1482
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0285 0.0123
Loa Loa (eye worm) hypothetical protein 0.002 0.0751 0.0751
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.188 0.4332
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.188 0.5625
Toxoplasma gondii heat shock protein HSP90 0.0039 0.4125 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.188 0.5625
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.188 0.4332
Brugia malayi heat shock protein 90 0.0039 0.4125 0.4027
Loa Loa (eye worm) hypothetical protein 0.002 0.0751 0.0751
Echinococcus granulosus heat shock protein 90 0.0039 0.4125 0.4125
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.4125 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.188 0.4332
Trichomonas vaginalis endoplasmin, putative 0.0024 0.1531 0.345
Loa Loa (eye worm) heat shock protein 75 0.0016 0.0164 0.0164
Brugia malayi AMP-binding enzyme family protein 0.0026 0.188 0.1745
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.188 0.5625
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.188 0.1745
Loa Loa (eye worm) hypothetical protein 0.002 0.0751 0.0751
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0016 0.0164 0.0164
Onchocerca volvulus 0.0031 0.2772 1
Schistosoma mansoni tar DNA-binding protein 0.0074 1 1
Schistosoma mansoni lamin 0.0031 0.2772 0.2652
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.4125 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Schistosoma mansoni heat shock protein 0.0039 0.4125 0.4027
Echinococcus multilocularis lamin 0.0031 0.2772 0.2772
Mycobacterium ulcerans hypothetical protein 0.0026 0.188 0.5625
Schistosoma mansoni tar DNA-binding protein 0.0074 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.4125 1
Schistosoma mansoni endoplasmin 0.0039 0.4125 0.4027
Loa Loa (eye worm) heat shock protein 90 0.0039 0.4125 0.4125
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.188 0.1745
Brugia malayi intermediate filament protein 0.0031 0.2772 0.2652
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.2772 0.2652
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.4125 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.188 0.5989
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0751 0.1482
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0751 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0751 0.0832
Plasmodium falciparum heat shock protein 90 0.0039 0.4125 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.2772 0.2772
Onchocerca volvulus 0.0031 0.2772 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.2758 0.655
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1
Loa Loa (eye worm) RNA binding protein 0.0074 1 1
Trichomonas vaginalis heat shock protein, putative 0.0024 0.1531 0.345
Trypanosoma brucei heat shock protein, putative 0.0039 0.4125 1
Plasmodium vivax endoplasmin, putative 0.0039 0.4125 1
Schistosoma mansoni tar DNA-binding protein 0.0074 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.188 0.5625
Treponema pallidum heat shock protein 90 0.0031 0.2758 0.5
Schistosoma mansoni tar DNA-binding protein 0.0074 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0751 0.0751
Echinococcus granulosus lamin dm0 0.0031 0.2772 0.2772
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.4125 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.2772 0.2652
Loa Loa (eye worm) hypothetical protein 0.0026 0.188 0.188
Plasmodium vivax heat shock protein 86, putative 0.0039 0.4125 1
Leishmania major heat shock protein 83-1 0.0039 0.4125 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.1 uM Antiproliferative activity against human HCT116 cells ChEMBL. 22192591
IC50 (functional) = 4.3 uM Antiproliferative activity against human NCI-N87 cells overexpressing Her-2 ChEMBL. 22192591
Kd (binding) = 10 nM Binding affinity to N-terminus biotinylated human Hsp90 alpha by surface plasmon resonance assay ChEMBL. 22192591

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22192591

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.