Detailed information for compound 583603

Basic information

Technical information
  • TDR Targets ID: 583603
  • Name: [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11- hydroxy-10,13,16-trimethyl-17-methylsulfanylc arbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydroc yclopenta[a]phenanthren-17-yl] acetate
  • MW: 450.563 | Formula: C24H31FO5S
  • H donors: 1 H acceptors: 4 LogP: 3.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSC(=O)[C@@]1(OC(=O)C)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
  • InChi: 1S/C24H31FO5S/c1-13-10-18-17-7-6-15-11-16(27)8-9-21(15,3)23(17,25)19(28)12-22(18,4)24(13,20(29)31-5)30-14(2)26/h8-9,11,13,17-19,28H,6-7,10,12H2,1-5H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
  • InChiKey: NWJQIUPQBDVVLW-QZIXMDIESA-N  


Substructure search Similarity search

Network

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Synonyms

  • acetic acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[(methylthio)-oxomethyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-(methylthio)carbonyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • timobesone acetate
  • Timobesone acetate (USAN)
  • D06152

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0058 0.1492 0.1492
Echinococcus granulosus hypothetical protein 0.0126 0.463 0.8026
Schistosoma mansoni aldo-keto reductase 0.0126 0.463 0.9937
Echinococcus granulosus muscleblind protein 0.0151 0.5769 1
Echinococcus granulosus aldehyde reductase 0.009 0.2956 0.5123
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0126 0.463 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Leishmania major prostaglandin f synthase, putative 0.0126 0.463 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.2341 0.4059
Trypanosoma brucei aldo-keto reductase, putative 0.0126 0.463 1
Trypanosoma brucei prostaglandin f synthase 0.0126 0.463 1
Trypanosoma cruzi aldo-keto reductase 0.0126 0.463 1
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.1492 0.2587
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0126 0.463 1
Brugia malayi Protein kinase domain containing protein 0.0127 0.4659 0.4659
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0968 0.0968
Echinococcus multilocularis aldo keto reductase 0.0126 0.463 0.8026
Loa Loa (eye worm) TK/INSR protein kinase 0.0127 0.4659 0.4659
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.2341 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Toxoplasma gondii aldose reductase, putative 0.0126 0.463 1
Brugia malayi Protein kinase domain containing protein 0.007 0.2063 0.2063
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Echinococcus multilocularis muscleblind protein 0.0151 0.5769 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Entamoeba histolytica aldose reductase, putative 0.0126 0.463 1
Echinococcus multilocularis aldehyde reductase 0.009 0.2956 0.5123
Schistosoma mansoni tyrosine kinase 0.0127 0.4659 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1138 0.1497
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0126 0.463 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0126 0.463 0.463
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.2341 0.5
Toxoplasma gondii aldo-keto reductase 0.0037 0.0524 0.1029
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.2341 0.5001
Echinococcus multilocularis voltage gated potassium channel subunit 0.0037 0.0524 0.0908
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.2341 0.4427
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0037 0.0524 0.0524
Entamoeba histolytica aldose reductase, putative 0.0126 0.463 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.2341 0.4059
Mycobacterium leprae Conserved hypothetical protein 0.009 0.2956 0.6342
Schistosoma mansoni tyrosine kinase 0.0058 0.1492 0.3203
Schistosoma mansoni tyrosine kinase 0.0057 0.1445 0.3102
Loa Loa (eye worm) hypothetical protein 0.0069 0.2016 0.2016
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Loa Loa (eye worm) hypothetical protein 0.0151 0.5769 0.5769
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Brugia malayi Probable ClpP-like protease 0.0076 0.2341 0.2341
Echinococcus granulosus aldo keto reductase 0.0126 0.463 0.8026
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Mycobacterium leprae Possible oxidoreductase 0.0037 0.0524 0.1029
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0037 0.0524 0.0524
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0968 0.2078
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0126 0.463 0.463
Echinococcus multilocularis insulin receptor 0.0127 0.4659 0.8076
Echinococcus multilocularis muscleblind protein 1 0.0151 0.5769 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0126 0.463 1
Giardia lamblia Aldose reductase 0.0126 0.463 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0127 0.4659 0.8076
Echinococcus granulosus aldo keto reductase 0.0126 0.463 0.8026
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Onchocerca volvulus 0.0126 0.463 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0968 0.1679
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.463 1
Brugia malayi MH2 domain containing protein 0.012 0.4319 0.4319
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Schistosoma mansoni tyrosine kinase 0.0058 0.1492 0.3203
Onchocerca volvulus 0.0126 0.463 1
Onchocerca volvulus 0.0037 0.0524 0.1131
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.2341 0.5001
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0037 0.0524 0.2059
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Echinococcus multilocularis aldo keto reductase 0.0126 0.463 0.8026
Echinococcus multilocularis aldo keto reductase 0.0126 0.463 0.8026
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.1492 0.2587
Echinococcus granulosus voltage gated potassium channel subunit 0.0037 0.0524 0.0908
Entamoeba histolytica aldose reductase, putative 0.0126 0.463 1
Brugia malayi Muscleblind-like protein 0.0151 0.5769 0.5769
Loa Loa (eye worm) hypothetical protein 0.0151 0.5769 0.5769
Giardia lamblia Aldose reductase 0.0126 0.463 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0037 0.0524 0.2059
Trypanosoma cruzi aldo/keto reductase, putative 0.0126 0.463 1
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.1492 0.2587
Schistosoma mansoni tyrosine kinase 0.0057 0.1445 0.3102
Schistosoma mansoni tyrosine kinase 0.0058 0.1492 0.3203
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.1492 0.2587
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0127 0.4659 0.8076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0968 0.1679
Onchocerca volvulus 0.0126 0.463 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.2341 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1138 0.1497
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0037 0.0524 0.1029
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.2341 0.5026
Loa Loa (eye worm) hypothetical protein 0.0076 0.2341 0.2341
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Schistosoma mansoni tyrosine kinase 0.0057 0.1445 0.3102
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0126 0.463 0.463
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.2341 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.2341 0.5001
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.2341 0.4427
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0968 0.2078
Onchocerca volvulus 0.0126 0.463 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0058 0.1492 0.2587
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.4319 0.4319
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Trichomonas vaginalis aldo/keto reductase, putative 0.0126 0.463 1
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1138 0.1973
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Schistosoma mansoni tyrosine kinase 0.0127 0.4659 1
Loa Loa (eye worm) oxidoreductase 0.0126 0.463 0.463
Brugia malayi NADH-dependent xylose reductase 0.0037 0.0524 0.0524
Schistosoma mansoni aldo-keto reductase 0.0126 0.463 0.9937
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.2341 1
Plasmodium vivax aldehyde reductase, putative 0.0037 0.0524 0.2059
Loa Loa (eye worm) oxidoreductase 0.0126 0.463 0.463
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0037 0.0524 0.0908
Echinococcus multilocularis aldo keto reductase 0.0126 0.463 0.8026
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1138 0.2372
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0126 0.463 0.463
Plasmodium falciparum aldo-keto reductase, putative 0.0037 0.0524 0.2059
Echinococcus granulosus aldo keto reductase 0.0126 0.463 0.8026
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0126 0.463 1
Onchocerca volvulus 0.0126 0.463 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0968 0.2078
Loa Loa (eye worm) oxidoreductase 0.0126 0.463 0.463
Loa Loa (eye worm) oxidoreductase 0.0126 0.463 0.463
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Leishmania major aldo-keto reductase-like protein 0.0126 0.463 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0126 0.463 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.4319 0.4319
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0968 0.1679
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0126 0.463 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0126 0.463 0.8026
Schistosoma mansoni potassium channel beta 0.0037 0.0524 0.1124
Schistosoma mansoni pol-related 0.0126 0.463 0.9937
Loa Loa (eye worm) oxidoreductase 0.0126 0.463 0.463
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0126 0.463 0.8026
Echinococcus granulosus insulin receptor 0.0127 0.4659 0.8076
Trichomonas vaginalis aldo-keto reductase, putative 0.0126 0.463 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.463 0.463
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.2341 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0968 0.1679
Mycobacterium ulcerans oxidoreductase 0.0126 0.463 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1138 0.1973
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0037 0.0524 0.1029
Onchocerca volvulus 0.0126 0.463 1
Brugia malayi Furin-like cysteine rich region family protein 0.0058 0.1492 0.1492
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0126 0.463 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0968 0.0968

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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