Detailed information for compound 562302

Basic information

Technical information
  • TDR Targets ID: 562302
  • Name: [(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14, 15,16,17-dodecahydro-1H-cyclopenta[a]phenanth ren-17-yl] (3E,7E)-4,8,12-trimethyltrideca-3, 7,12-trienoate
  • MW: 506.759 | Formula: C34H50O3
  • H donors: 0 H acceptors: 2 LogP: 8.98 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=C)CCCC(=CCCC(=CCC(=O)O[C@H]1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C)C
  • InChi: 1S/C34H50O3/c1-23(2)8-6-9-24(3)10-7-11-25(4)12-19-33(36)37-32-18-17-31-30-15-13-26-22-27(35)14-16-28(26)29(30)20-21-34(31,32)5/h10,12,22,28-32H,1,6-9,11,13-21H2,2-5H3/b24-10+,25-12+/t28?,29?,30?,31?,32-,34?/m0/s1
  • InChiKey: APZVXKVRBSPNPA-ZJLGTJLASA-N  

Network

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Synonyms

  • (3E,7E)-4,8,12-trimethyltrideca-3,7,12-trienoic acid [(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
  • (3E,7E)-4,8,12-trimethyltrideca-3,7,12-trienoic acid [(17S)-3-keto-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
  • 19-nortestosterone homofarnesate
  • 38911-59-0
  • (17-beta)-17-((1-Oxo-4,8,12-trimethyl-3,7,11-tridecatrienyl)oxy)estr-4-en-3-one
  • ESTR-4-EN-3-ONE, 17-((1-OXO-4,8,12-TRIMETHYL-3,7,11-TRIDECATRIENYL)OXY)-, (17-be
  • Estr-4-en-3-one, 17-((1-oxo-4,8,12-trimethyl-3,7,11-tridecatrienyl)oxy)-, (17-beta)-

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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2168 0.2168
Loa Loa (eye worm) hypothetical protein 0.0044 0.179 0.179
Loa Loa (eye worm) hypothetical protein 0.0076 0.4056 0.4056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2168 0.6206
Brugia malayi Bromodomain containing protein 0.0041 0.1606 0.1076
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.2479 0.2479
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.1427 0.1427
Loa Loa (eye worm) hypothetical protein 0.016 1 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2479 0.2479
Echinococcus multilocularis muscleblind protein 0.016 1 1
Brugia malayi Bromodomain containing protein 0.008 0.4379 0.4024
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.3223 0.3223
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0415 0.0415
Schistosoma mansoni bromodomain containing protein 0.0068 0.3493 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1287 0.0737
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2168 0.2168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2168 0.6206
Schistosoma mansoni hypothetical protein 0.0037 0.1287 0.3683
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0415 0.0415
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.2479 0.2004
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0271 0.0271
Echinococcus multilocularis muscleblind protein 1 0.016 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2168 0.6206
Echinococcus multilocularis zinc finger protein 0.0021 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.0037 0.1287 0.1287
Loa Loa (eye worm) hypothetical protein 0.0041 0.1611 0.1611
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.2168 0.2168
Loa Loa (eye worm) hypothetical protein 0.0046 0.1934 0.1934
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.1427 0.1427
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.2168 0.1674
Echinococcus granulosus zinc finger protein 0.0021 0.0191 0.0191
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0046 0.0046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.2479 0.2004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2168 0.2168
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0415 0.1188
Loa Loa (eye worm) hypothetical protein 0.016 1 1
Schistosoma mansoni zinc finger protein 0.0021 0.0191 0.0546
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2168 0.2168
Echinococcus granulosus muscleblind protein 0.016 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.3223 0.3223
Schistosoma mansoni hypothetical protein 0.0022 0.0271 0.0774

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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