Detailed information for compound 550489

Basic information

Technical information
  • TDR Targets ID: 550489
  • Name: [(8R,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dime thyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-c yclopenta[a]phenanthren-17-yl] acetate
  • MW: 372.498 | Formula: C23H32O4
  • H donors: 0 H acceptors: 2 LogP: 4.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)OC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@@H]1OC(=O)C)C
  • InChi: 1S/C23H32O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,13,18-21H,6-12H2,1-4H3/t18-,19-,20-,21-,22-,23-/m0/s1
  • InChiKey: WDEWKQVZHVQXLN-LLINQDLYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • acetic acid [(8R,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
  • [(8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
  • [(8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
  • androsta-3,5-diene-3,17-diol diacetate
  • 1778-93-4
  • Androsta-3,5-diene-3,17-diol, diacetate, (17beta)-

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
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.0267 0.1763
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0018 0.0004
Trypanosoma brucei PAB1-binding protein , putative 0.0103 0.0148 0.1114
Trichomonas vaginalis glucosylceramidase, putative 0.0517 0.0971 0.6429
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0014 0.0085
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0302 0.0544 0.4416
Trichomonas vaginalis glucosylceramidase, putative 0.0544 0.1026 0.6796
Brugia malayi hypothetical protein 0.0103 0.0148 0.0971
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1336 0.2604 1
Brugia malayi acetyltransferase, GNAT family protein 0.0298 0.0535 0.3538
Schistosoma mansoni hypothetical protein 0.1213 0.2357 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0289 0.0518 0.2153
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0302 0.0544 0.4416
Loa Loa (eye worm) hypothetical protein 0.0103 0.0148 0.0971
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0109 0.016 0.1215
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.009 0.0121 0.0889
Brugia malayi Latrophilin receptor protein 2 0.0082 0.0105 0.0689
Echinococcus multilocularis short transient receptor potential channel 6 0.0069 0.008 0.0066
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.096 0.1853 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0088 0.0116 0.0436
Trichomonas vaginalis glucosylceramidase, putative 0.0787 0.151 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0014 0.0092
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1336 0.2604 0.5
Echinococcus granulosus geminin 0.1213 0.2357 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1336 0.2604 0.5
Schistosoma mansoni alpha-glucosidase 0.0141 0.0222 0.0887
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0014 0.1371
Schistosoma mansoni hypothetical protein 0.0046 0.0034 0.0086
Echinococcus granulosus GPCR family 2 0.0082 0.0105 0.0388
Echinococcus granulosus amyloid beta A4 protein 0.0075 0.0091 0.0331
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0082 0.0105 0.0689
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0014 0.0092
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0014 0.0092
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0014 0.0198
Loa Loa (eye worm) MH2 domain-containing protein 0.0257 0.0453 0.2998
Trichomonas vaginalis glucosylceramidase, putative 0.0517 0.0971 0.6429
Plasmodium vivax ataxin-2 like protein, putative 0.0103 0.0148 1
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0067 0.0076 0.0516
Trichomonas vaginalis glucosylceramidase, putative 0.0517 0.0971 0.6429
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.096 0.1853 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0014 0.0092
Trichomonas vaginalis glucosylceramidase, putative 0.0787 0.151 1
Leishmania major mitochondrial DNA polymerase beta 0.0638 0.1213 1
Brugia malayi Transient-receptor-potential like protein 0.004 0.0022 0.0138
Leishmania major hypothetical protein, conserved 0.0103 0.0148 0.1114
Echinococcus granulosus short transient receptor potential channel 6 0.0069 0.008 0.0283
Brugia malayi Calcitonin receptor-like protein seb-1 0.0259 0.0458 0.3026
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0108 0.0158 0.1039
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.0267 0.0254
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1336 0.2604 1
Echinococcus granulosus TRP transient receptor potential channel 0.004 0.0022 0.0034
Loa Loa (eye worm) hypothetical protein 0.0108 0.0158 0.1039
Onchocerca volvulus 0.03 0.054 0.4874
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0066 0.0074 0.0255
Loa Loa (eye worm) acetyltransferase 0.0298 0.0535 0.3538
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0638 0.1213 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0638 0.1213 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0108 0.0158 0.0614
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0259 0.0458 0.3026
Loa Loa (eye worm) calcium channel 0.0108 0.0158 0.1039
Trichomonas vaginalis glucosylceramidase, putative 0.0544 0.1026 0.6796
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0034 0.002
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0638 0.1213 1
Loa Loa (eye worm) hypothetical protein 0.0259 0.0458 0.3026
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0014 0.0092
Loa Loa (eye worm) X11 protein 0.0075 0.0091 0.0599
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0108 0.0158 0.0614
Echinococcus granulosus voltage dependent calcium channel 0.0108 0.0158 0.0614
Schistosoma mansoni alpha-glucosidase 0.0141 0.0222 0.0887
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.0267 0.0254
Loa Loa (eye worm) hypothetical protein 0.0072 0.0086 0.056
Echinococcus multilocularis short transient receptor potential channel 6 0.0069 0.008 0.0066
Echinococcus multilocularis geminin 0.1213 0.2357 0.2347
Echinococcus multilocularis TRP (transient receptor potential) channel 0.004 0.0022 0.0008
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0074 0.0497
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0088 0.0116 0.1676
Entamoeba histolytica acetyltransferase, GNAT family 0.008 0.0102 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0377 0.0692 0.0404
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0108 0.0158 0.0614
Schistosoma mansoni voltage-gated cation channel 0.0108 0.0158 0.0614
Loa Loa (eye worm) hypothetical protein 0.004 0.0022 0.0138
Giardia lamblia Histone acetyltransferase GCN5 0.008 0.0102 1
Schistosoma mansoni transient receptor potential channel 0.0069 0.008 0.0283
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0298 0.0535 0.2224
Echinococcus multilocularis transient receptor potential ion channel A 0.0098 0.0136 0.0123
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0108 0.0158 0.0144
Schistosoma mansoni hypothetical protein 0.0082 0.0105 0.0388
Onchocerca volvulus Glucosylceramidase homolog 0.0517 0.0971 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.001 0.0058
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0082 0.0105 0.0388
Echinococcus granulosus transient receptor potential gamma protein 0.0104 0.0148 0.0573
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0108 0.0158 0.0614
Echinococcus granulosus short transient receptor potential channel 6 0.0069 0.008 0.0283
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0067 0.0076 0.0516
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0066 0.0074 0.006
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0088 0.0116 0.1676
Echinococcus multilocularis voltage dependent calcium channel 0.0108 0.0158 0.0144
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0148 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0014 0.0092
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0018 0.0018
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0302 0.0544 0.4416
Trichomonas vaginalis glucosylceramidase, putative 0.0787 0.151 1
Brugia malayi hypothetical protein 0.0067 0.0075 0.0487
Brugia malayi MH2 domain containing protein 0.0257 0.0453 0.2998
Loa Loa (eye worm) hypothetical protein 0.0082 0.0105 0.0689
Echinococcus multilocularis GPCR, family 2 0.0082 0.0105 0.0091
Trichomonas vaginalis glucosylceramidase, putative 0.0517 0.0971 0.6429
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0014 0.1371
Brugia malayi latrophilin 2 splice variant baaae 0.0177 0.0294 0.1944
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0066 0.0074 0.0255
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0014 0.0092
Echinococcus multilocularis voltage dependent calcium channel 0.0108 0.0158 0.0144
Schistosoma mansoni transient receptor potential channel 4 0.0104 0.0148 0.0573
Echinococcus multilocularis sodium channel protein 0.0048 0.0037 0.0023
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0377 0.0692 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0082 0.0105 0.0091
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0067 0.0076 0.0494
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0259 0.0458 0.3026
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0108 0.0158 0.0144
Schistosoma mansoni hypothetical protein 0.0177 0.0294 0.1197
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.009 0.0121 0.0889
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0787 0.151 1
Schistosoma mansoni hypothetical protein 0.1213 0.2357 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.009 0.0121 0.0889
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0066 0.0074 0.0481
Loa Loa (eye worm) transcription factor SMAD2 0.0257 0.0453 0.2998
Echinococcus multilocularis transient receptor potential gamma protein 0.0104 0.0148 0.0135
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0088 0.0116 0.0769
Loa Loa (eye worm) hypothetical protein 0.0063 0.0068 0.0445
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0148 0.1114
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0014 0.0092
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0108 0.0158 0.0144
Brugia malayi hypothetical protein 0.03 0.054 0.357
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0066 0.0074 0.724
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0048 0.0037 0.01
Schistosoma mansoni hypothetical protein 0.0082 0.0105 0.0388
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0074 0.0497
Loa Loa (eye worm) hypothetical protein 0.03 0.054 0.357
Schistosoma mansoni amyloid beta A4 protein related 0.0075 0.0091 0.0331
Loa Loa (eye worm) hypothetical protein 0.0177 0.0294 0.1944
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0148 1
Trichomonas vaginalis glucosylceramidase, putative 0.0517 0.0971 0.6429
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0066 0.0074 0.0481
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0108 0.0158 0.0614
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0014 0.0092
Loa Loa (eye worm) latrophilin receptor protein 2 0.0082 0.0105 0.0689
Trichomonas vaginalis bromodomain-containing protein, putative 0.0088 0.0116 0.0769
Trichomonas vaginalis glucosylceramidase, putative 0.0787 0.151 1
Schistosoma mansoni transient receptor potential channel 0.0069 0.008 0.0283
Schistosoma mansoni hypothetical protein 0.0082 0.0105 0.0388
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0034 0.0086
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0 0.0002
Brugia malayi hypothetical protein 0.0072 0.0086 0.056
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0787 0.151 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0014 0.0085
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0298 0.0535 0.0522
Toxoplasma gondii hypothetical protein 0.0103 0.0147 0.2119
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0082 0.0105 0.0388
Loa Loa (eye worm) hypothetical protein 0.0104 0.0148 0.0976
Schistosoma mansoni transient receptor potential channel 0.0104 0.0148 0.0573
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0 0.0002
Toxoplasma gondii LsmAD domain-containing protein 0.0103 0.0148 0.2129
Trichomonas vaginalis glucosylceramidase, putative 0.0787 0.151 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0148 0.1114
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.0267 0.1763
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0082 0.0105 0.0091
Trichomonas vaginalis glucosylceramidase, putative 0.0517 0.0971 0.6429
Trichomonas vaginalis glucosylceramidase, putative 0.0517 0.0971 0.6429
Trichomonas vaginalis glucosylceramidase, putative 0.0787 0.151 1
Echinococcus granulosus transient receptor potential ion channel A 0.0098 0.0136 0.0522
Echinococcus multilocularis amyloid beta A4 protein 0.0075 0.0091 0.0078
Trypanosoma brucei DNA polymerase beta thumb, putative 0.009 0.0121 0.0889
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0108 0.0158 0.0144
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0066 0.0074 0.0497
Trichomonas vaginalis MYB, putative 0.0029 0 0.0002
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.0267 0.108
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0066 0.0074 0.0497
Schistosoma mansoni hypothetical protein 0.0082 0.0105 0.0388

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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