Detailed information for compound 565303

Basic information

Technical information
  • TDR Targets ID: 565303
  • Name: (11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo [12.4.0]octadeca-1(18),14,16-triene-7,13-dion e
  • MW: 320.38 | Formula: C18H24O5
  • H donors: 2 H acceptors: 4 LogP: 3.92 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O
  • InChi: 1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1
  • InChiKey: APJDQUGPCJRQRJ-LBPRGKRZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (11S)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-quinone
  • 5975-78-0
  • STK028034
  • SMR000058193
  • C14754
  • ZINC03957079
  • 2,4-Dihydroxy-6-(10-hydroxy-6-oxoundecyl)benzoic acid mu-lactone
  • Z0167_SIGMA
  • MLS000069626
  • (3S)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
  • (S)-3,4,5,6,9,10,11,12-Octahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
  • (S)-Zearalanone
  • AN-512/13264034
  • P 1502
  • Zanone
  • beta-Resorcylic acid, 6-(10-hydroxy-6-oxoundecyl)-, mu-lactone
  • 2,4-DIHYDROXY-6-[10-HYDROXY-6-OXO-UNDECYL]BENZOIC ACID MICRO-LACTONE
  • 1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10,11,12-octahydro-14,16-dihydroxy-3-methyl-, (S)-
  • MLS000097900

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 2 (ER beta) Starlite/ChEMBL References
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class A member 1 No references
Rattus norvegicus Androgen Receptor Starlite/ChEMBL References
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class B member 1 Starlite/ChEMBL References
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni 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
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
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
Trypanosoma brucei gambiense 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 vivax endoplasmin, 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
Cryptosporidium parvum Hsp90 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
Plasmodium vivax heat shock protein 86, 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
Trypanosoma congolense Heat shock protein 83, 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
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 lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni 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
Schistosoma mansoni heat shock protein 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
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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 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
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum heat shock protein 90 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
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
Echinococcus granulosus heat shock protein heat shock protein 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
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
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
Giardia lamblia Heat shock protein HSP 90-alpha 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
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, 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
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
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi Endoplasmin precursor 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
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock 90 kDa protein homolog 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
Trichomonas vaginalis heat shock protein, 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
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma 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
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
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 brucei heat shock protein 90, 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
Babesia bovis hsp90 protein 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
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
Echinococcus multilocularis heat shock protein 90 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
Leishmania donovani 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
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-beta, 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
Treponema pallidum heat shock protein 90 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 donovani 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
Cryptosporidium hominis heat shock protein 83 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 cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
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
Neospora caninum HSP90-like protein, related 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 major heat shock protein 83-1 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
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
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
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
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
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
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 major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %
Plasmodium falciparum heat shock protein 90, putative heat shock protein 90kDa alpha (cytosolic), class B member 1 724 aa 725 aa 35.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Brugia malayi MH2 domain containing protein 0.0248 0.3022 0.8556
Trypanosoma cruzi heat shock protein, putative 0.0032 0.0087 0.1215
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0195 0.0188
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0195 0.0188
Echinococcus granulosus GPCR family 2 0.0066 0.0551 0.0544
Echinococcus granulosus geminin 0.0205 0.2432 0.2426
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0063 0.05 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0195 0.0188
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3532 0.3527
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Trichomonas vaginalis heat shock protein, putative 0.0078 0.0717 1
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Brugia malayi latrophilin 2 splice variant baaae 0.0143 0.1596 0.452
Loa Loa (eye worm) hypothetical protein 0.0143 0.1596 0.452
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0195 0.0553
Plasmodium falciparum endoplasmin, putative 0.0048 0.0304 0.4246
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0007 0.002
Schistosoma mansoni endoplasmin 0.0078 0.0717 0.071
Schistosoma mansoni nuclear hormone receptor 0.004 0.0195 0.0188
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0063 0.05 0.6969
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.3022 0.8556
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.0195 0.0188
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0195 0.0553
Trypanosoma cruzi Heat shock protein 83, putative 0.0078 0.0717 1
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Brugia malayi intermediate filament protein 0.0026 0.0007 0.002
Loa Loa (eye worm) steroid hormone receptor 0.004 0.0195 0.0553
Brugia malayi ecdysteroid receptor 0.004 0.0195 0.0553
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.0551 0.0544
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0209 0.2497 0.707
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0195 0.0553
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3532 0.3527
Schistosoma mansoni hypothetical protein 0.0205 0.2432 0.2426
Trypanosoma brucei Heat shock protein 83, putative 0.0078 0.0717 1
Brugia malayi nuclear hormone receptor 0.004 0.0195 0.0553
Loa Loa (eye worm) hypothetical protein 0.0026 0.0007 0.002
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.0551 0.0544
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.0195 0.0553
Schistosoma mansoni microtubule-associated protein tau 0.0761 1 1
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0001 0.0002
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0063 0.05 0.0493
Echinococcus multilocularis heat shock protein 0.0078 0.0717 0.071
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.0195 0.0188
Onchocerca volvulus 0.004 0.0195 0.4329
Echinococcus granulosus heat shock protein 90 0.0078 0.0717 0.071
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Schistosoma mansoni heat shock protein 0.0078 0.0717 0.071
Toxoplasma gondii heat shock protein 75, putative 0.0032 0.0087 0.1215
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.0195 0.0188
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0195 0.0553
Trichomonas vaginalis heat shock protein, putative 0.0063 0.05 0.655
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0551 0.1559
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Treponema pallidum heat shock protein 90 0.0063 0.05 0.5
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.0195 0.0188
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0195 0.0188
Trichomonas vaginalis heat shock protein, putative 0.0063 0.05 0.655
Brugia malayi heat shock protein 90 0.0078 0.0717 0.203
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.0195 0.0188
Schistosoma mansoni hypothetical protein 0.0066 0.0551 0.0544
Schistosoma mansoni hypothetical protein 0.0058 0.0442 0.0435
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.0195 0.0553
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0007 0.002
Entamoeba histolytica heat shock protein 90, putative 0.0078 0.0717 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.3532 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0551 0.1559
Schistosoma mansoni heat shock protein 0.0078 0.0717 0.071
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.0195 0.0188
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0195 0.0553
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.0195 0.0188
Toxoplasma gondii Hsp90 domain-containing protein 0.0032 0.0087 0.1215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.0195 0.0553
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.0195 0.0188
Echinococcus granulosus endoplasmin 0.0063 0.05 0.0493
Trypanosoma cruzi heat shock protein 90, putative 0.0078 0.0717 1
Entamoeba histolytica heat shock protein 90, putative 0.0078 0.0717 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.0551 0.1559
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Trichomonas vaginalis heat shock protein, putative 0.0063 0.05 0.655
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Trypanosoma cruzi heat shock protein 85, putative 0.0078 0.0717 1
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0312 0.3888 0.3884
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0272 0.3343 0.3338
Echinococcus multilocularis GPCR, family 2 0.0066 0.0551 0.0544
Brugia malayi steroid hormone receptor 0.004 0.0195 0.0553
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.0195 0.0188
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 0.0195 0.0188
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.0195 0.0553
Brugia malayi Calcitonin receptor-like protein seb-1 0.0209 0.2497 0.707
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0032 0.0087 0.1842
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.0195 0.0553
Trypanosoma cruzi heat shock protein 85, putative 0.0078 0.0717 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.0195 0.0188
Echinococcus granulosus FTZ F1 alpha 0.004 0.0195 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.0195 0.0553
Schistosoma mansoni coup transcription factor 0.004 0.0195 0.0188
Schistosoma mansoni thyroid hormone receptor 0.0312 0.3888 0.3884
Trypanosoma cruzi heat shock protein 85, putative 0.0078 0.0717 1
Trypanosoma brucei heat shock protein 90, putative 0.0078 0.0717 1
Trypanosoma cruzi heat shock protein 90, putative 0.0063 0.05 0.6969
Schistosoma mansoni hypothetical protein 0.0066 0.0551 0.0544
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.0195 0.0553
Loa Loa (eye worm) heat shock protein 75 0.0032 0.0087 0.0247
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Trypanosoma brucei heat shock protein, putative 0.0078 0.0717 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0195 0.0553
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0272 0.3343 0.3338
Schistosoma mansoni thyroid hormone receptor 0.0312 0.3888 0.3884
Loa Loa (eye worm) hypothetical protein 0.0209 0.2497 0.707
Toxoplasma gondii heat shock protein 90, putative 0.0078 0.0717 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0007 0.002
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0063 0.05 0.5
Loa Loa (eye worm) endoplasmin 0.0078 0.0717 0.203
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.0195 0.0553
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Onchocerca volvulus Protein ultraspiracle homolog 0.004 0.0195 0.4329
Onchocerca volvulus Bile acid receptor homolog 0.004 0.0195 0.4329
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 0.0195 0.4329
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Schistosoma mansoni hypothetical protein 0.0066 0.0551 0.0544
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0551 0.1559
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.0195 0.0553
Onchocerca volvulus 0.0058 0.0442 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.0551 0.0544
Trypanosoma cruzi heat shock protein 85, putative 0.0063 0.05 0.6969
Echinococcus multilocularis heat shock protein 90 0.0078 0.0717 0.071
Schistosoma mansoni heat shock protein 0.0032 0.0087 0.008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0195 0.0553
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.0195 0.0553
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0032 0.0087 0.008
Brugia malayi Endoplasmin precursor 0.0078 0.0717 0.203
Plasmodium vivax heat shock protein, putative 0.0032 0.0087 0.1215
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.0195 0.0553
Echinococcus multilocularis heat shock protein 90 0.0063 0.05 0.0493
Schistosoma mansoni hypothetical protein 0.0272 0.3343 0.3338
Loa Loa (eye worm) heat shock protein 90 0.0078 0.0717 0.203
Brugia malayi Steroid receptor seven-up type 2 0.004 0.0195 0.0553
Echinococcus multilocularis geminin 0.0205 0.2432 0.2426
Trypanosoma brucei heat shock protein 84, putative 0.0032 0.0087 0.1215
Schistosoma mansoni hypothetical protein 0.0143 0.1596 0.159
Plasmodium falciparum heat shock protein 90, putative 0.0032 0.0087 0.1215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.0195 0.0553
Plasmodium falciparum heat shock protein 90 0.0078 0.0717 1
Brugia malayi hypothetical protein 0.0286 0.3532 1
Schistosoma mansoni hypothetical protein 0.0066 0.0551 0.0544
Plasmodium vivax heat shock protein 90, putative 0.0032 0.0087 0.1215
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Plasmodium vivax heat shock protein 86, putative 0.0078 0.0717 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.3022 0.8556
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.0195 0.0553
Leishmania major heat shock protein, putative 0.0032 0.0087 0.1215
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.0195 0.0188
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0442 0.1251
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.0195 0.0188
Trypanosoma brucei heat shock protein 90, putative 0.0078 0.0717 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0063 0.05 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.028 0.3902
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0209 0.2497 0.707
Toxoplasma gondii heat shock protein HSP90 0.0078 0.0717 1
Trichomonas vaginalis heat shock protein, putative 0.0048 0.0304 0.345
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0032 0.0087 0.008
Echinococcus multilocularis microtubule associated protein 2 0.0761 1 1
Echinococcus multilocularis FTZ F1 alpha 0.004 0.0195 0.0188
Brugia malayi Hsp90 protein 0.0032 0.0087 0.0247
Schistosoma mansoni hypothetical protein 0.0205 0.2432 0.2426
Echinococcus multilocularis endoplasmin 0.0063 0.05 0.0493
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.0195 0.0188
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.0195 0.0553
Giardia lamblia Heat shock protein HSP 90-alpha 0.0078 0.0717 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0195 0.0188
Brugia malayi nuclear receptor NHR-88 0.004 0.0195 0.0553
Echinococcus granulosus heat shock protein 0.0078 0.0717 0.071
Plasmodium falciparum heat shock protein 90, putative 0.0032 0.0087 0.1215
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.0195 0.0188
Trichomonas vaginalis endoplasmin, putative 0.0048 0.0304 0.345
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.0195 0.0188
Mycobacterium ulcerans heat shock protein 90 0.0063 0.05 0.5
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Loa Loa (eye worm) hypothetical protein 0.004 0.0195 0.0553
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.0195 0.0553
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.0195 0.0188
Echinococcus granulosus heat shock protein 90 0.0063 0.05 0.0493
Schistosoma mansoni endoplasmin 0.0078 0.0717 0.071
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.0195 0.0188
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.0551 0.0544
Leishmania major heat shock protein 83-1 0.0078 0.0717 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.0195 0.0188
Plasmodium vivax endoplasmin, putative 0.0078 0.0717 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.0442 0.0435

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 38 nM Agonist activity at ERbeta by fluorescence polarization assay ChEMBL. 12828470
EC50 (functional) = 660 nM Agonist activity at ERbeta by fluorescence polarization assay ChEMBL. 12828470
IC50 (binding) = 4.37 Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]-Methyltrienolone (R 1881) ChEMBL. 16134935
IC50 (binding) = 5 Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]-Methyltrienolone (R 1881) ChEMBL. 16134935
IC50 (binding) = 90 nM Inhibition of Hsp90 ChEMBL. 19017562
IC50 (functional) = 2.1976 um PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 429 (Primary screen preceding this dose response confirmation assay.)] ChEMBL. No reference
IC50 (functional) > 25 uM Cytotoxicity against human MCF7 cells after 72 hrs by MTS assay ChEMBL. 21513293
IC50 (functional) > 25 uM Cytotoxicity against human H460 cells after 72 hrs by MTS assay ChEMBL. 21513293
IC50 (functional) > 30 um PUBCHEM_BIOASSAY: Cell-based secondary assay for identifying Hsp90 inhibitors that degrade Hsp90 client protein Her2. (Class of assay: confirmatory) [Related pubchem assays: 429 (Primary screen preceding this dose response confirmation assay.)] ChEMBL. No reference
IC50 (functional) > 50 uM Cytotoxicity against human SF268 cells after 72 hrs by MTS assay ChEMBL. 21513293
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

2 literature references were collected for this gene.

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