Detailed information for compound 1477276

Basic information

Technical information
  • TDR Targets ID: 1477276
  • Name: STK275153
  • MW: 386.443 | Formula: C24H22N2O3
  • H donors: 1 H acceptors: 3 LogP: 3.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1CC2C=C1
  • InChi: 1S/C24H22N2O3/c1-2-14-7-3-5-9-18(14)25-22(27)17-8-4-6-10-19(17)26-23(28)20-15-11-12-16(13-15)21(20)24(26)29/h3-12,15-16,20-21H,2,13H2,1H3,(H,25,27)
  • InChiKey: NWQUJZSEJQHILX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N-(2-ethylphenyl)benzamide
  • AK-918/40893616

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
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1683 1 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0239 0.1238 0.2349
Plasmodium falciparum ornithine aminotransferase 0.0239 0.1238 0.5
Entamoeba histolytica aminopeptidase, putative 0.0035 0 0.5
Brugia malayi Pax transcription factor protein 2 0.0904 0.527 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0239 0.1238 0.1238
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0035 0 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0035 0 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0904 0.527 1
Trypanosoma cruzi aminopeptidase, putative 0.0035 0 0.5
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0239 0.1238 0.1238
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1683 1 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0239 0.1238 0.1238
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0239 0.1238 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0 0.5
Mycobacterium ulcerans acetylornithine aminotransferase 0.0239 0.1238 0.1238
Plasmodium vivax ornithine aminotransferase, putative 0.0239 0.1238 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0035 0 0.5
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0239 0.1238 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0239 0.1238 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1683 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0239 0.1238 1
Echinococcus granulosus ornithine aminotransferase 0.0239 0.1238 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0239 0.1238 0.1238
Echinococcus granulosus Aminotransferase class III 0.0239 0.1238 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0239 0.1238 0.1238
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0035 0 0.5
Echinococcus multilocularis Aminotransferase class III 0.0239 0.1238 1
Mycobacterium ulcerans hypothetical protein 0.1683 1 1
Onchocerca volvulus 0.0904 0.527 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0035 0 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0239 0.1238 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.1683 1 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0239 0.1238 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.