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

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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