Detailed information for compound 1781721

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.279 | Formula: C16H12N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.56 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/1\C(=O)C=C(c2c1cccc2)Nc1ccccc1
  • InChi: 1S/C16H12N2O2/c19-15-10-14(17-11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(15)18-20/h1-10,17,20H/b18-16-
  • InChiKey: MOWNPTIFTNOHNB-VLGSPTGOSA-N  

Network

Hover on a compound node to display the structore

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
Chlamydia trachomatis dihydrofolate reductase 0.0513 0.4387 0.5
Brugia malayi Dihydrofolate reductase 0.0513 0.4387 0.3152
Schistosoma mansoni dihydrofolate reductase 0.0513 0.4387 1
Entamoeba histolytica aminopeptidase, putative 0.0341 0.1803 0.5
Brugia malayi dihydrofolate reductase family protein 0.0513 0.4387 0.3152
Loa Loa (eye worm) hypothetical protein 0.0545 0.4871 0.5943
Loa Loa (eye worm) hypothetical protein 0.0767 0.8197 1
Echinococcus granulosus aminopeptidase N 0.0887 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.0513 0.4387 0.5352
Onchocerca volvulus 0.0887 1 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0341 0.1803 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0341 0.1803 0.1803
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0341 0.1803 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0341 0.1803 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0341 0.1803 0.1803
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0341 0.1803 0.5
Echinococcus multilocularis aminopeptidase N 0.0887 1 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0341 0.1803 0.5
Loa Loa (eye worm) peptidase family M1 containing protein 0.0665 0.6674 0.8143
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0341 0.1803 0.1803
Echinococcus multilocularis dihydrofolate reductase 0.0513 0.4387 0.4387
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0341 0.1803 0.1803
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0513 0.4387 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0341 0.1803 0.411
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0341 0.1803 0.1803
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0341 0.1803 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0341 0.1803 0.5
Echinococcus granulosus dihydrofolate reductase 0.0513 0.4387 0.3152
Loa Loa (eye worm) aminopeptidase N 0.0341 0.1803 0.22
Trypanosoma cruzi aminopeptidase, putative 0.0341 0.1803 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0513 0.4387 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0341 0.1803 0.1803
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0341 0.1803 0.411
Trypanosoma cruzi Aminopeptidase M1, putative 0.0341 0.1803 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0341 0.1803 0.5
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0513 0.4387 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 1.67 uM Cytotoxicity against mouse RAW264.7 cells assessed as cell viability after 24 hrs by MTS assay ChEMBL. 23232148

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 23232148

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.