Detailed information for compound 1719744

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.382 | Formula: C20H17N5O
  • H donors: 3 H acceptors: 3 LogP: 1.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cc(N)cc(c1)c1cnc2c(c1)c(c[nH]2)c1ccncc1
  • InChi: 1S/C20H17N5O/c1-12(26)25-17-7-14(6-16(21)9-17)15-8-18-19(11-24-20(18)23-10-15)13-2-4-22-5-3-13/h2-11H,21H2,1H3,(H,23,24)(H,25,26)
  • InChiKey: BMVDRHIIZZFEIJ-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 neurotrophic tyrosine kinase, receptor, type 1 Starlite/ChEMBL References

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
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.1987 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0283 0.1299 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0036 0.0041 0.0317
Brugia malayi Pax transcription factor protein 2 0.1468 0.7351 1
Mycobacterium ulcerans acetylornithine aminotransferase 0.0283 0.1299 0.1263
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Mycobacterium tuberculosis Probable aminotransferase 0.1987 1 1
Brugia malayi hypothetical protein 0.0036 0.0041 0.0056
Echinococcus granulosus aminopeptidase N 0.0036 0.0041 0.0317
Mycobacterium ulcerans L-lysine aminotransferase 0.0283 0.1299 0.1263
Onchocerca volvulus 0.0036 0.0041 0.0056
Echinococcus multilocularis Aminotransferase class III 0.0283 0.1299 1
Brugia malayi Peptidase family M1 containing protein 0.0036 0.0041 0.0056
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0283 0.1299 0.5
Plasmodium falciparum ornithine aminotransferase 0.0283 0.1299 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0283 0.1299 0.5
Echinococcus granulosus Aminotransferase class III 0.0283 0.1299 1
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0036 0.0041 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0036 0.0041 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.1987 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Echinococcus granulosus ornithine aminotransferase 0.0283 0.1299 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0283 0.1299 0.5
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0283 0.1299 0.1263
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0283 0.1299 0.1767
Onchocerca volvulus 0.0036 0.0041 0.0056
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0283 0.1299 0.1263
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Trypanosoma brucei Aminopeptidase M1, putative 0.0036 0.0041 0.5
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0283 0.1299 0.1263
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.1987 1 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0283 0.1299 0.1263
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Onchocerca volvulus 0.1468 0.7351 1
Brugia malayi Peptidase family M1 containing protein 0.0036 0.0041 0.0056
Echinococcus multilocularis aminopeptidase N 0.0036 0.0041 0.0317
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0283 0.1299 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0036 0.0041 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0036 0.0041 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0036 0.0041 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.1468 0.7351 1
Entamoeba histolytica aminopeptidase, putative 0.0036 0.0041 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0036 0.0041 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0036 0.0041 0.0317
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0283 0.1299 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Loa Loa (eye worm) aminopeptidase N 0.0036 0.0041 0.0056
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0036 0.0041 0.0317
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0036 0.0041 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0041 0.0317
Echinococcus multilocularis ornithine aminotransferase 0.0283 0.1299 1
Mycobacterium ulcerans hypothetical protein 0.1987 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.41 nM Inhibition of TRKA assessed as [gamma33P]ATP incorporation into substrate ChEMBL. 22575050
IC50 (functional) > 30 uM Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay ChEMBL. 22575050

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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