Detailed information for compound 1821607

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.422 | Formula: C19H26N2O2
  • H donors: 2 H acceptors: 1 LogP: 3.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NOCc1ccccc1)CNC1C2CC3CC1CC(C2)C3
  • InChi: 1S/C19H26N2O2/c22-18(21-23-12-13-4-2-1-3-5-13)11-20-19-16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-17,19-20H,6-12H2,(H,21,22)
  • InChiKey: NGQAMCZTCMXKFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epoxide hydrolase 2, cytoplasmic Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) Get druggable targets OG5_129061 All targets in OG5_129061
Mycobacterium ulcerans epoxide hydrolase EphA Get druggable targets OG5_129061 All targets in OG5_129061
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
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0418 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0052 0 0.5
Treponema pallidum aminopeptidase P 0.0052 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0418 1 1
Chlamydia trachomatis methionine aminopeptidase 0.0052 0 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0052 0 0.5
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0197 0.3975 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0418 1 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.0418 1 1
Mycobacterium ulcerans epoxide hydrolase EphA 0.0197 0.3975 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0418 1 1
Wolbachia endosymbiont of Brugia malayi Xaa-Pro aminopeptidase 0.0052 0 0.5
Plasmodium falciparum methionine aminopeptidase 2 0.0418 1 1
Treponema pallidum methionine aminopeptidase (map) 0.0052 0 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0418 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0418 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0418 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0418 1 1
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0418 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0418 1 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.0418 1 1
Chlamydia trachomatis aminopeptidase P 0.0052 0 0.5
Echinococcus granulosus methionyl aminopeptidase 2 0.0418 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0418 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0052 0 0.5
Giardia lamblia Methionine aminopeptidase 0.0418 1 1
Leishmania major methionine aminopeptidase 2, putative 0.0418 1 1
Entamoeba histolytica methionine aminopeptidase, putative 0.0418 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0418 1 1
Mycobacterium leprae Probable cytoplasmic peptidase PepQ 0.0052 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibition of recombinant human sEH expressed in Sf9 cells using CMNPC as substrate assessed as release of 6-methoxy-2-naphthaldehyde preincubated for 10 mins before substrate addition measured after 10 mins by fluorometer analysis ChEMBL. 24433964

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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