Detailed information for compound 251989

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.546 | Formula: C23H38O3
  • H donors: 2 H acceptors: 3 LogP: 6.05 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC[C@@H](/C=C/[C@H]1C2CCC([C@@H]1C/C=C\CCCC(=O)O)CC2)O
  • InChi: 1S/C23H38O3/c1-2-3-6-9-20(24)16-17-22-19-14-12-18(13-15-19)21(22)10-7-4-5-8-11-23(25)26/h4,7,16-22,24H,2-3,5-6,8-15H2,1H3,(H,25,26)/b7-4-,17-16+/t18?,19?,20-,21-,22-/m0/s1
  • InChiKey: UELHSVQUXBHNRV-TYRVOZBYSA-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 Matrixin family protein 0.0272 0.0614 0.1085
Onchocerca volvulus 0.0385 0.2102 0.3431
Onchocerca volvulus Matrix metalloproteinase homolog 0.0603 0.4951 1
Loa Loa (eye worm) matrix metalloproteinase 0.0272 0.0614 0.1085
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0331 0.139 0.2455
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0331 0.139 0.5
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.061 0.5053 0.5
Loa Loa (eye worm) hypothetical protein 0.0272 0.0614 0.1085
Plasmodium vivax transporter, putative 0.061 0.5053 0.5
Loa Loa (eye worm) matrixin family protein 0.0657 0.5663 1
Brugia malayi Matrixin family protein 0.0272 0.0614 0.1085
Brugia malayi Matrixin family protein 0.0272 0.0614 0.1085
Brugia malayi Matrixin family protein 0.0272 0.0614 0.1085
Loa Loa (eye worm) hypothetical protein 0.0272 0.0614 0.1085
Brugia malayi Hemopexin family protein 0.0385 0.2102 0.3712
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0988 1 1
Toxoplasma gondii hypothetical protein 0.061 0.5053 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0766 0.7096 0.7096
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0278 0.0701 0.3336
Brugia malayi Matrixin family protein 0.0657 0.5663 1
Plasmodium vivax hypothetical protein, conserved 0.061 0.5053 0.5
Loa Loa (eye worm) hypothetical protein 0.0331 0.139 0.2455
Mycobacterium leprae PROBABLE HYDROLASE 0.0331 0.139 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0272 0.0614 0.2922
Onchocerca volvulus Matrilysin homolog 0.0603 0.4951 1
Loa Loa (eye worm) hypothetical protein 0.0272 0.0614 0.1085
Schistosoma mansoni hypothetical protein 0.0385 0.2102 1
Mycobacterium ulcerans hydrolase 0.0331 0.139 0.5
Loa Loa (eye worm) matrixin family protein 0.0603 0.4951 0.8743

Activities

Activity type Activity value Assay description Source Reference
Aggregation response (functional) 0 Compound was evaluated for aggregation properties on human platelets at 1.3 microM; Irreversible ChEMBL. 7086834

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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