Detailed information for compound 261718

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.493 | Formula: C24H30O4
  • H donors: 1 H acceptors: 3 LogP: 2.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC2(C(=C1)C1CC1C1C2[C@H](O)CC2(C1C1CC1[C@]12CCC(=O)O1)C)C
  • InChi: 1S/C24H30O4/c1-22-5-3-11(25)7-15(22)12-8-13(12)19-20-14-9-16(14)24(6-4-18(27)28-24)23(20,2)10-17(26)21(19)22/h7,12-14,16-17,19-21,26H,3-6,8-10H2,1-2H3/t12?,13?,14?,16?,17-,19?,20?,21?,22?,23?,24+/m1/s1
  • InChiKey: OEMKUEDWDSBGFI-FTWSEFOXSA-N  

Network

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Synonyms

No synonyms found for this compound

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 latrophilin 2 splice variant baaae 0.0034 0.0529 0.0529
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0073
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0922 0.0922
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0013 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0073
Onchocerca volvulus Neuropeptide F receptor homolog 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0016 0.0073 0.0073
Echinococcus granulosus raf serine:threonine protein kinase 0.0164 0.3751 0.3751
Onchocerca volvulus 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0922 0.0922
Schistosoma mansoni gamma-secretase subunit aph-1 0.0417 1 1
Brugia malayi Raf kinase 0.0159 0.3609 0.3609
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0417 1 1
Trypanosoma cruzi Aph-1 protein, putative 0.0162 0.3702 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0529 0.0529
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0073
Echinococcus granulosus GPCR family 2 0.0016 0.0073 0.0073
Echinococcus granulosus gamma secretase subunit aph 1 0.0417 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0073 0.0073
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0073 0.0073
Onchocerca volvulus 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0164 0.3751 0.3751
Onchocerca volvulus 0.0013 0 0.5
Trypanosoma brucei Aph-1 protein, putative 0.0162 0.3702 0.5
Onchocerca volvulus 0.0013 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0922 0.0922
Onchocerca volvulus 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0093 0.1989 0.1989
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0073
Onchocerca volvulus 0.0013 0 0.5
Echinococcus multilocularis raf serine:threonine protein kinase 0.0164 0.3751 0.3751
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0073 0.0073
Onchocerca volvulus 0.0013 0 0.5
Onchocerca volvulus 0.0013 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0073 0.0073
Loa Loa (eye worm) raf kinase 0.0164 0.3732 0.3732
Echinococcus multilocularis gamma secretase subunit aph 1 0.0417 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0073 0.0073
Onchocerca volvulus 0.0013 0 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0034 0.0529 0.0529
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0922 0.0922
Onchocerca volvulus 0.0013 0 0.5
Trypanosoma cruzi Aph-1 protein, putative 0.0162 0.3702 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0073 0.0073

Activities

Activity type Activity value Assay description Source Reference
Competition factor (binding) Binding affinity for rat androgen receptor compared to dihydrotestosterone; No affinity ChEMBL. 3989815
Competition factor (binding) = 195 Binding affinity for rat progesterone receptor compared to progesterone ChEMBL. 3989815
Competition factor (binding) 0 Binding affinity for rat androgen receptor compared to dihydrotestosterone; No affinity ChEMBL. 3989815
Competition factor (binding) = 195 Binding affinity for rat progesterone receptor compared to progesterone ChEMBL. 3989815
MRP (functional) Relative potency as antialdosterone activity compared to spironolactone 1 hr after oral administration; No activity ChEMBL. 3989815
MRP (functional) 0 Relative potency as antialdosterone activity compared to spironolactone 1 hr after oral administration; No activity ChEMBL. 3989815

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

1 literature reference was collected for this gene.

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