Detailed information for compound 301979

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 860.988 | Formula: C46H60N4O12
  • H donors: 4 H acceptors: 6 LogP: 4.32 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@H]1C[C@H](C)CC2=C(NCCCCCOc3ccc4c(c3)oc(cc4=O)N3CCOCC3)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C
  • InChi: 1S/C46H60N4O12/c1-27-21-33-41(48-15-8-7-9-18-60-31-13-14-32-35(51)26-40(61-38(32)24-31)50-16-19-59-20-17-50)36(52)25-34(43(33)54)49-45(55)28(2)11-10-12-37(57-5)44(62-46(47)56)30(4)23-29(3)42(53)39(22-27)58-6/h10-14,23-27,29,37,39,42,44,48,53H,7-9,15-22H2,1-6H3,(H2,47,56)(H,49,55)/b12-10-,28-11+,30-23+/t27-,29+,37+,39+,42-,44+/m1/s1
  • InChiKey: JNPSLFCPGYBVME-BCTNQBMCSA-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 protein kinase, DNA-activated, catalytic polypeptide 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
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
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 infantum heat shock protein 83-1 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
Trichomonas vaginalis heat shock protein, 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
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
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 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 major heat shock protein 83-1 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
Plasmodium yoelii 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
Cryptosporidium hominis heat shock protein 83 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
Trypanosoma brucei Heat shock protein 83, 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 japonicum Heat shock protein HSP 90-beta, 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
Echinococcus granulosus 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
Brugia malayi heat shock protein 90 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 cruzi Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin 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
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical protein 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 cruzi heat shock protein 85, 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
Giardia lamblia Grp94/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
Candida albicans heat shock protein 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 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
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, 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
Schistosoma japonicum 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 brucei 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
Trichomonas vaginalis 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 infantum 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
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
Echinococcus multilocularis 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
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
Trichomonas vaginalis 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
Schistosoma mansoni endoplasmin 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 donovani 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
Echinococcus multilocularis heat shock protein 90 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 congolense Heat shock protein 83, 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
Trichomonas vaginalis heat shock protein, 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
Toxoplasma gondii 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
Trypanosoma brucei gambiense 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
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
Plasmodium knowlesi 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
Entamoeba histolytica 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
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
Trypanosoma brucei heat shock protein, 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
Trypanosoma brucei 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
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein 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
Neospora caninum HSP90-like protein, 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
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
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, 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 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
Theileria parva heat shock protein 90 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
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Leishmania mexicana 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
Trypanosoma brucei 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
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
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
Leishmania mexicana 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
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0852 0.2476
Giardia lamblia Heat shock protein HSP 90-alpha 0.0031 0.0585 0.5409
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0031 0.0585 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0271 0.3179
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0271 0.0615
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0852 0.2476
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0271 0.0589
Plasmodium vivax endoplasmin, putative 0.0039 0.0852 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Toxoplasma gondii heat shock protein HSP90 0.0039 0.0852 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0271 0.0589
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.0852 1
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0271 0.0589
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0271 0.2485
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0271 0.0589
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.0852 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.0852 0.2476
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0852 0.2476
Treponema pallidum heat shock protein 90 0.0031 0.0585 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0271 0.0589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0585 0.1622
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0852 1
Echinococcus granulosus heat shock protein 90 0.0039 0.0852 0.0779
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0271 0.3179
Loa Loa (eye worm) endoplasmin 0.0039 0.0852 1
Schistosoma mansoni heat shock protein 0.0039 0.0852 1
Echinococcus granulosus endoplasmin 0.0031 0.0585 0.051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0585 0.6868
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis heat shock protein, putative 0.0016 0.0079 0.0924
Trichomonas vaginalis endoplasmin, putative 0.0024 0.0345 0.4056
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0271 0.2485
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0271 0.2485
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0271 0.3179
Entamoeba histolytica heat shock protein 90, putative 0.0039 0.0852 1
Mycobacterium ulcerans heat shock protein 90 0.0031 0.0585 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major hypothetical protein, conserved 0.0114 0.334 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0271 0.0615
Plasmodium falciparum heat shock protein 90 0.0039 0.0852 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0271 0.0194
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.0585 0.1622
Echinococcus multilocularis endoplasmin 0.0031 0.0585 0.051
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.32 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.0585 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0852 0.2476
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0031 0.0585 0.051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0271 0.3179
Giardia lamblia Grp94/Hsp90 0.0031 0.0585 0.5409
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0271 0.0615
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0585 0.6868
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Echinococcus multilocularis heat shock protein 90 0.0031 0.0585 0.051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Echinococcus multilocularis heat shock protein 90 0.0039 0.0852 0.0779
Plasmodium falciparum endoplasmin, putative 0.0024 0.0345 0.345
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.0585 0.1552
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0271 0.3179
Loa Loa (eye worm) heat shock protein 90 0.0039 0.0852 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Brugia malayi Endoplasmin precursor 0.0039 0.0852 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trypanosoma brucei heat shock protein 84, putative 0.0016 0.0079 0.0924
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0016 0.0079 0.5
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0852 1
Schistosoma mansoni heat shock protein 0.0039 0.0852 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0.0271 0.2485
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0271 0.0194
Trypanosoma brucei heat shock protein, putative 0.0039 0.0852 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0016 0.0079 0.0924
Toxoplasma gondii heat shock protein 75, putative 0.0016 0.0079 0.0924
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Brugia malayi heat shock protein 90 0.0039 0.0852 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0271 0.0194
Schistosoma mansoni endoplasmin 0.0039 0.0852 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0.0271 0.2485
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Echinococcus multilocularis heat shock protein 0.0039 0.0852 0.0779
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0271 0.3179
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0271 0.0194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.0852 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Loa Loa (eye worm) heat shock protein 75 0.0016 0.0079 0.0924
Echinococcus granulosus heat shock protein 0.0039 0.0852 0.0779
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0271 0.0615
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.0852 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Schistosoma mansoni endoplasmin 0.0039 0.0852 1
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0271 0.3179
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0031 0.0585 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0852 1
Plasmodium vivax heat shock protein 86, putative 0.0039 0.0852 1
Trichomonas vaginalis heat shock protein, putative 0.0024 0.0345 0.4056
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Echinococcus granulosus heat shock protein 90 0.0031 0.0585 0.051
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.0315 0.0757
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Leishmania major heat shock protein 83-1 0.0039 0.0852 0.237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0271 0.3179
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0271 0.2485
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0271 0.0615
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0313 1 1
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0585 0.6868

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 2.5 uM Competetive binding towards Heat shock protein HSP 90-alpha ChEMBL. 11294389
EC50 (binding) = 2.5 uM Competetive binding towards Heat shock protein HSP 90-alpha ChEMBL. 11294389
IC50 (binding) = 5 uM Inhibition of DNA dependent protein kinase with hsp90 alpha protein ChEMBL. 11294389
IC50 (binding) = 5 uM Inhibition of DNA dependent protein kinase with hsp90 alpha protein ChEMBL. 11294389
IC50 (binding) = 10 uM Inhibition of DNA dependent protein kinase activity without hsp90 alpha protein ChEMBL. 11294389
IC50 (binding) = 10 uM Inhibition of DNA dependent protein kinase activity without hsp90 alpha protein ChEMBL. 11294389
IC50 (binding) = 310 uM Inhibition of Phoshoinositol 3 kinase from MCF-7 breast cancer cells ChEMBL. 11294389

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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