Detailed information for compound 554217

Basic information

Technical information
  • TDR Targets ID: 554217
  • Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo -6,7,8,9,11,12,14,15,16,17-decahydrocyclopent a[a]phenanthren-17-yl] acetate
  • MW: 328.445 | Formula: C21H28O3
  • H donors: 0 H acceptors: 2 LogP: 4.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
  • InChi: 1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
  • InChiKey: KPCDGGNHYODURF-PXQJOHHUSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • acetic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8R,9S,10R,13S,14S,17S)-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • 17 beta-acetoxy-delta-(1,5)-androstadien-3-one
  • 2363-59-9
  • 17beta-Acetoxy-delta-(1,5)-androstadien-3-one
  • EINECS 219-112-8
  • (17beta)-Hydroxyandrosta-1,4-dien-3-one acetate

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
Trypanosoma cruzi Nicastrin, putative 0.0073 0.0019 0.004
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.015 0.0084 0.2512
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0 0.5
Echinococcus multilocularis Nicastrin 0.0199 0.0124 0.0124
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0199 0.0124 0.0124
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0408 0.0299 1
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0408 0.0299 1
Leishmania major mitochondrial DNA polymerase beta 0.0318 0.0224 0.7373
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0006 0.0006
Echinococcus multilocularis Nicastrin 0.0199 0.0124 0.0124
Echinococcus multilocularis nicalin 0.0073 0.0019 0.0019
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.015 0.0084 0.0207
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0011 0.1378
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0011 0.0011
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0006 0.0006
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0408 0.0299 1
Trypanosoma cruzi Aph-1 protein, putative 0.4682 0.3871 1
Brugia malayi gamma-secretase subunit pen-2 0.0383 0.0278 0.0278
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.0224 0.0569
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.015 0.0084 0.0168
Echinococcus granulosus presenilin enhancer 2 0.0383 0.0278 0.0278
Mycobacterium ulcerans hypothetical protein 0.0167 0.0098 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0006 0.0006
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0115 0.0054 0.0092
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.0123 0.0123
Echinococcus multilocularis gamma secretase subunit aph 1 1.2016 1 1
Echinococcus granulosus nicalin 0.0073 0.0019 0.0019
Brugia malayi Presenilin spe-4 0.0143 0.0078 0.0078
Echinococcus multilocularis presenilin 0.0408 0.0299 0.0299
Echinococcus multilocularis presenilin enhancer 2 0.0383 0.0278 0.0278
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0408 0.0299 0.0299
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0006 0.0006
Brugia malayi Presenilin spe-4 0.0143 0.0078 0.0078
Loa Loa (eye worm) MBCTL1 0.0057 0.0006 0.0006
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0408 0.0299 0.0727
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.0224 0.0569
Echinococcus granulosus presenilin 0.0408 0.0299 0.0299
Brugia malayi hypothetical protein 0.0143 0.0078 0.0078
Mycobacterium tuberculosis Conserved hypothetical protein 0.0167 0.0098 1
Onchocerca volvulus 0.005 0 0.5
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0408 0.0299 1
Leishmania major hypothetical protein, conserved 0.0115 0.0054 0.1493
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0006 0.0006
Brugia malayi hypothetical protein 0.0143 0.0078 0.0078
Brugia malayi hypothetical protein 0.0199 0.0124 0.0124
Brugia malayi Presenilin-like protein At2g29900 0.0143 0.0078 0.0078
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0318 0.0224 0.0531
Trypanosoma brucei Aph-1 protein, putative 0.4682 0.3871 1
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0408 0.0299 0.0764
Toxoplasma gondii hypothetical protein 0.0143 0.0078 1
Schistosoma mansoni hypothetical protein 0.0305 0.0213 0.0213
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0408 0.0299 0.0764
Loa Loa (eye worm) presenilin spe-4 0.0143 0.0078 0.0078
Brugia malayi Presenilin family protein 0.0408 0.0299 0.0299
Entamoeba histolytica presenilin 1 peptidase, putative 0.0408 0.0299 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0006 0.0006
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0011 0.0011
Echinococcus granulosus gamma secretase subunit aph 1 1.2016 1 1
Toxoplasma gondii hypothetical protein 0.0115 0.0054 0.6982
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0626 0.0481 0.0481
Schistosoma mansoni gamma-secretase subunit aph-1 1.2016 1 1
Brugia malayi Presenilin spe-4 0.0143 0.0078 0.0078
Loa Loa (eye worm) gamma-secretase subunit aph-1 1.2016 1 1
Schistosoma mansoni hypothetical protein 0.0199 0.0124 0.0124
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0383 0.0278 0.0278
Echinococcus granulosus Nicastrin 0.0199 0.0124 0.0124
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0006 0.0006
Trypanosoma cruzi Nicastrin, putative 0.0073 0.0019 0.004
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0011 0.0011
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.0123 0.0123
Brugia malayi hypothetical protein 0.0199 0.0124 0.0124
Trypanosoma cruzi Aph-1 protein, putative 0.4682 0.3871 1
Brugia malayi hypothetical protein 0.0143 0.0078 0.0078

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.