Detailed information for compound 928699

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.601 | Formula: C18H37N2O4PS2
  • H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCOP(=O)(OCCSC(=S)N1CCN(CC1)C)O
  • InChi: 1S/C18H37N2O4PS2/c1-3-4-5-6-7-8-9-10-15-23-25(21,22)24-16-17-27-18(26)20-13-11-19(2)12-14-20/h3-17H2,1-2H3,(H,21,22)
  • InChiKey: RQEUAZAJFFZUBA-UHFFFAOYSA-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
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0673 0.1081 0.4333
Brugia malayi ecdysteroid receptor 0.1845 0.6981 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0458 0 0.5
Loa Loa (eye worm) matrix metalloproteinase 0.0673 0.1081 0.1549
Mycobacterium leprae PROBABLE HYDROLASE 0.0819 0.1819 0.5
Loa Loa (eye worm) hypothetical protein 0.0673 0.1081 0.1549
Mycobacterium ulcerans hydrolase 0.0819 0.1819 0.5
Schistosoma mansoni hypothetical protein 0.0954 0.2495 1
Onchocerca volvulus Matrilysin homolog 0.0673 0.1081 0.1549
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.2445 1 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.1492 0.5202 0.7452
Brugia malayi Matrixin family protein 0.1626 0.5879 0.8421
Loa Loa (eye worm) matrixin family protein 0.1626 0.5879 0.8421
Onchocerca volvulus 0.0673 0.1081 0.1549
Onchocerca volvulus Bile acid receptor homolog 0.1845 0.6981 1
Brugia malayi Matrixin family protein 0.0673 0.1081 0.1549
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0819 0.1819 0.2605
Brugia malayi Matrixin family protein 0.0673 0.1081 0.1549
Brugia malayi Matrixin family protein 0.0673 0.1081 0.1549
Brugia malayi Hemopexin family protein 0.0954 0.2495 0.3574
Loa Loa (eye worm) hypothetical protein 0.0819 0.1819 0.2605
Loa Loa (eye worm) hypothetical protein 0.0673 0.1081 0.1549
Brugia malayi Matrixin family protein 0.0673 0.1081 0.1549
Onchocerca volvulus Matrilysin homolog 0.1492 0.5202 0.7452
Loa Loa (eye worm) hypothetical protein 0.1845 0.6981 1
Onchocerca volvulus 0.0954 0.2495 0.3574
Loa Loa (eye worm) hypothetical protein 0.0673 0.1081 0.1549
Toxoplasma gondii calcium binding egf domain-containing protein 0.0458 0 0.5
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0819 0.1819 0.5
Loa Loa (eye worm) matrixin family protein 0.1492 0.5202 0.7452

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) > 100 uM Antiproliferative activity against HEK293 cells assessed as inhibition of cell proliferation incubated for 18 hrs followed by MTT addition for 4 hrs by MTT assay ChEMBL. 25128666

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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