Detailed information for compound 1000525

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 656.809 | Formula: C35H52N4O8
  • H donors: 3 H acceptors: 4 LogP: 3.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@H]1C[C@H](C)CC2=C(NCCN3CCCC3)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C\[C@@H]([C@H](/C(=C/[C@@H]([C@H]1OC)C)/C)OC(=O)N)OC)/C
  • InChi: 1S/C35H52N4O8/c1-21-17-25-30(37-13-16-39-14-8-9-15-39)27(40)20-26(31(25)41)38-34(42)22(2)11-10-12-28(44-5)33(47-35(36)43)24(4)19-23(3)32(46-7)29(18-21)45-6/h10-12,19-21,23,28-29,32-33,37H,8-9,13-18H2,1-7H3,(H2,36,43)(H,38,42)/b12-10-,22-11+,24-19+/t21-,23+,28+,29+,32-,33+/m1/s1
  • InChiKey: IOCMMMVAUBOPPV-JAONMSCJSA-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 B member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei heat shock protein, 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
Plasmodium vivax endoplasmin, 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 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
Schistosoma mansoni heat shock protein 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
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
Trypanosoma cruzi heat shock protein 85, 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
Echinococcus granulosus heat shock protein 90 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
Entamoeba histolytica heat shock protein 90, 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
Toxoplasma gondii heat shock protein 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
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 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
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
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 mexicana 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
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
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 cruzi 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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 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
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
Candida albicans heat shock protein 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 donovani 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
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi 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
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
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii 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
Schistosoma mansoni 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
Trypanosoma cruzi heat shock protein 85, 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 endoplasmin 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
Echinococcus multilocularis endoplasmin 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
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
Trypanosoma brucei 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
Loa Loa (eye worm) heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein 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 hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum 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
Mycobacterium ulcerans 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
Leishmania major heat shock protein 83-1 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
Cryptosporidium parvum Hsp90 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 cruzi heat shock protein 85, putative 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
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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
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 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 Grp94/Hsp90 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
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
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
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
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 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
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
Entamoeba histolytica heat shock protein 90, 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
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
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0644 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0077 0.0644 0.0991
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Toxoplasma gondii heat shock protein HSP90 0.0039 0.0186 0.0812
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.0916 0.1352
Schistosoma mansoni hypothetical protein 0.004 0.019 0.0007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.058 0.0804
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0077 0.0644 0.0991
Loa Loa (eye worm) hypothetical protein 0.0077 0.0644 0.0972
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0644 1
Mycobacterium tuberculosis Conserved protein 0.0077 0.0644 0.0991
Brugia malayi hypothetical protein 0.0153 0.1581 0.249
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0186 0.2352
Loa Loa (eye worm) hypothetical protein 0.0077 0.0644 0.0972
Schistosoma mansoni hypothetical protein 0.0099 0.0916 0.1212
Loa Loa (eye worm) hypothetical protein 0.017 0.1782 0.2817
Onchocerca volvulus 0.0077 0.0644 0.5
Loa Loa (eye worm) RNA binding protein 0.0532 0.6215 1
Echinococcus multilocularis tar DNA binding protein 0.0532 0.6215 0.6181
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0044 0.0249
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.017 0.1782 0.2817
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0644 0.0972
Schistosoma mansoni tar DNA-binding protein 0.0532 0.6215 1
Onchocerca volvulus 0.0077 0.0644 0.5
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.017 0.1782 0.171
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0644 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.058 0.0497
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0644 1
Echinococcus multilocularis heat shock protein 0.0039 0.0186 0.0099
Treponema pallidum heat shock protein 90 0.0031 0.0088 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0186 0.2352
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0044 0.0249
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0088 0.1363
Loa Loa (eye worm) hypothetical protein 0.0077 0.0644 0.0972
Echinococcus multilocularis expressed protein 0.0095 0.0867 0.0786
Entamoeba histolytica hypothetical protein 0.0072 0.058 1
Echinococcus multilocularis GPCR, family 2 0.0099 0.0916 0.0836
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.0644 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0313 0.3532 0.5652
Leishmania major hypothetical protein, conserved 0.0077 0.0644 1
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Toxoplasma gondii ABC1 family protein 0.0077 0.0644 0.3451
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Schistosoma mansoni hypothetical protein 0.017 0.1782 0.2649
Echinococcus granulosus expressed protein 0.0095 0.0867 0.1271
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Plasmodium falciparum heat shock protein 90 0.0039 0.0186 0.1041
Loa Loa (eye worm) hypothetical protein 0.0099 0.0916 0.1413
Trypanosoma cruzi Heat shock protein 83, putative 0.0039 0.0186 0.2352
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0644 0.0908
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Schistosoma mansoni tar DNA-binding protein 0.0532 0.6215 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.0186 1
Brugia malayi hypothetical protein 0.0153 0.1581 0.249
Mycobacterium tuberculosis Conserved protein 0.0077 0.0644 0.0991
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0186 0.288
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0644 0.0561
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.0916 0.1352
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Brugia malayi Endoplasmin precursor 0.0039 0.0186 0.0229
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.017 0.1782 0.2817
Mycobacterium tuberculosis Probable hydrolase 0.0077 0.0644 0.0991
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0077 0.0644 0.0991
Brugia malayi beta-lactamase family protein 0.0077 0.0644 0.0972
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0095 0.0867 0.1332
Mycobacterium ulcerans hypothetical protein 0.0077 0.0644 1
Echinococcus granulosus geminin 0.0528 0.6163 0.9916
Mycobacterium ulcerans beta-lactamase 0.0077 0.0644 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0644 0.0761
Onchocerca volvulus 0.0077 0.0644 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0644 0.0972
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0095 0.0867 0.1332
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0839 0.1083
Brugia malayi hypothetical protein 0.0072 0.058 0.0869
Schistosoma mansoni hypothetical protein 0.0099 0.0916 0.1212
Brugia malayi TAR-binding protein 0.0532 0.6215 1
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.017 0.1782 0.2817
Mycobacterium tuberculosis Probable lipase LipD 0.0077 0.0644 0.0991
Trypanosoma cruzi heat shock protein 85, putative 0.0031 0.0088 0.0723
Toxoplasma gondii TIM10 family protein, putative 0.0095 0.0867 0.473
Loa Loa (eye worm) heat shock protein 90 0.0039 0.0186 0.0229
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0088 0.1363
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0644 0.3451
Echinococcus granulosus GPCR family 2 0.0099 0.0916 0.1352
Schistosoma mansoni hypothetical protein 0.0528 0.6163 0.9914
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.0916 0.1413
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Loa Loa (eye worm) hypothetical protein 0.0077 0.0644 0.0972
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0644 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0839 0.0758
Schistosoma mansoni tar DNA-binding protein 0.0532 0.6215 1
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.017 0.1782 1
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0186 0.2352
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.0644 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0839 0.0758
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0839 0.1226
Toxoplasma gondii heat shock protein 90, putative 0.0039 0.0186 0.0812
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0839 0.1083
Schistosoma mansoni hypothetical protein 0.0099 0.0916 0.1212
Brugia malayi beta-lactamase 0.0077 0.0644 0.0972
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0095 0.0867 0.4862
Echinococcus granulosus tar DNA binding protein 0.0532 0.6215 1
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0186 0.2352
Brugia malayi heat shock protein 90 0.0039 0.0186 0.0229
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0088 0.1363
Mycobacterium tuberculosis Possible penicillin-binding protein 0.049 0.5702 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.017 0.1782 1
Plasmodium vivax heat shock protein 86, putative 0.0039 0.0186 0.0812
Schistosoma mansoni hypothetical protein 0.0072 0.058 0.0655
Loa Loa (eye worm) beta-lactamase 0.0077 0.0644 0.0972
Mycobacterium leprae Probable lipase LipE 0.0077 0.0644 1
Schistosoma mansoni hypothetical protein 0.0528 0.6163 0.9914
Echinococcus granulosus heat shock protein 90 0.0039 0.0186 0.016
Plasmodium vivax endoplasmin, putative 0.0039 0.0186 0.0812
Mycobacterium tuberculosis Conserved protein 0.0077 0.0644 0.0991
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Schistosoma mansoni tar DNA-binding protein 0.0532 0.6215 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0839 0.1083
Mycobacterium tuberculosis Probable lipase LipE 0.0077 0.0644 0.0991
Mycobacterium tuberculosis Probable esterase LipL 0.0077 0.0644 0.0991
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0644 1
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Mycobacterium ulcerans lipase LipD 0.0077 0.0644 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.2321 0.369
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0644 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0313 0.3532 0.5652
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0644 0.0972
Entamoeba histolytica hypothetical protein 0.0072 0.058 1
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0644 1
Echinococcus multilocularis geminin 0.0528 0.6163 0.6129
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.0916 0.1413
Loa Loa (eye worm) hypothetical protein 0.0077 0.0644 0.0972
Brugia malayi Latrophilin receptor protein 2 0.0099 0.0916 0.1413
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.0916 0.0836
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0839 0.1226
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.0916 0.0836
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.058 0.0655
Schistosoma mansoni hypothetical protein 0.0214 0.2321 0.3542
Trypanosoma brucei heat shock protein, putative 0.0039 0.0186 0.2352
Brugia malayi RNA recognition motif domain containing protein 0.0532 0.6215 1
Brugia malayi latrophilin 2 splice variant baaae 0.0214 0.2321 0.369
Entamoeba histolytica hypothetical protein 0.0072 0.058 1
Loa Loa (eye worm) hypothetical protein 0.0313 0.3532 0.5652
Schistosoma mansoni tar DNA-binding protein 0.0532 0.6215 1
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.017 0.1782 1
Trypanosoma brucei heat shock protein 90, putative 0.0039 0.0186 0.2352
Brugia malayi beta-lactamase family protein 0.0077 0.0644 0.0972
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0839 0.1287
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0186 0.2352
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0095 0.0867 0.473
Brugia malayi RNA binding protein 0.0532 0.6215 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0031 0.0088 0.0723
Mycobacterium leprae conserved hypothetical protein 0.0077 0.0644 1
Trichomonas vaginalis esterase, putative 0.0077 0.0644 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0839 0.1287
Loa Loa (eye worm) endoplasmin 0.0039 0.0186 0.0229
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0031 0.0088 0.5
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0095 0.0867 0.473
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Trypanosoma brucei Heat shock protein 83, putative 0.0039 0.0186 0.2352
Schistosoma mansoni hypothetical protein 0.0099 0.0916 0.1212
Echinococcus granulosus heat shock protein 0.0039 0.0186 0.016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0313 0.3532 0.5652
Echinococcus multilocularis heat shock protein 90 0.0039 0.0186 0.0099
Loa Loa (eye worm) TAR-binding protein 0.0532 0.6215 1
Trypanosoma cruzi heat shock protein 90, putative 0.0031 0.0088 0.0723
Leishmania major heat shock protein 83-1 0.0039 0.0186 0.2352
Entamoeba histolytica hypothetical protein 0.0072 0.058 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0644 0.0761
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0532 0.6215 1
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0095 0.0867 0.113

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 62 nM Cytotoxicity against human A549 cells after 72 hrs by celltiter-glo assay ChEMBL. 19405528
IC50 (functional) = 69 nM Cytotoxicity against human SKOV3 cells after 72 hrs by celltiter-glo assay ChEMBL. 19405528
IC50 (functional) = 76 nM Cytotoxicity against human MCF7 cells after 72 hrs by celltiter-glo assay ChEMBL. 19405528
IC50 (functional) = 160 nM Cytotoxicity against human SKBR3 cells after 72 hrs by celltiter-glo assay ChEMBL. 19405528
IC50 (functional) = 160 nM Cytotoxicity against human CCRF-CEM cells after 72 hrs by celltiter-96 aqueous one solution assay ChEMBL. 19405528
IC50 (functional) = 520 nM Cytotoxicity against human paclitaxel-resistant CCRF-CEM cells after 72 hrs by celltiter-96 aqueous one solution assay ChEMBL. 19405528
Kd (binding) = 1 uM Binding affinity to human recombinant HSP90 ChEMBL. 19405528

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 19405528

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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