Detailed information for compound 1722996

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.382 | Formula: C20H18N4O3
  • H donors: 2 H acceptors: 3 LogP: 1.92 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(C2)C(=O)c1ccccc1
  • InChi: 1S/C20H18N4O3/c1-27-15-9-7-13(8-10-15)19(25)21-18-16-11-24(12-17(16)22-23-18)20(26)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,21,22,23,25)
  • InChiKey: MPIUBZYIUORHRZ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus tar DNA binding protein 0.0141 0.6678 0.6678
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0153 0.7455 0.5
Echinococcus multilocularis tar DNA binding protein 0.0141 0.6678 0.6678
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.2792 0.5
Brugia malayi TAR-binding protein 0.0141 0.6678 0.631
Loa Loa (eye worm) hypothetical protein 0.008 0.2792 0.0792
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.6678 0.5756
Schistosoma mansoni tar DNA-binding protein 0.0141 0.6678 0.6678
Trypanosoma cruzi PAB1-binding protein , putative 0.008 0.2792 0.5
Leishmania major hypothetical protein, conserved 0.008 0.2792 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0153 0.7455 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.6678 0.6678
Loa Loa (eye worm) hypothetical protein 0.0103 0.4229 0.2627
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.2792 0.5
Mycobacterium ulcerans hypothetical protein 0.0153 0.7455 0.5
Schistosoma mansoni hypothetical protein 0.007 0.2172 0.2172
Brugia malayi RNA binding protein 0.0141 0.6678 0.631
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.4229 0.2627
Mycobacterium tuberculosis Probable aminotransferase 0.0153 0.7455 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.2172 0.1305
Schistosoma mansoni tar DNA-binding protein 0.0141 0.6678 0.6678
Schistosoma mansoni tar DNA-binding protein 0.0141 0.6678 0.6678
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0153 0.7455 0.5
Loa Loa (eye worm) RNA binding protein 0.0141 0.6678 0.5756
Toxoplasma gondii LsmAD domain-containing protein 0.008 0.2792 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.6678 0.631
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0153 0.7455 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.008 0.2792 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.4229 0.3589
Loa Loa (eye worm) TAR-binding protein 0.0141 0.6678 0.5756
Plasmodium falciparum ataxin-2 like protein, putative 0.008 0.2792 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.4229 0.3589
Brugia malayi hypothetical protein 0.008 0.2792 0.1993
Schistosoma mansoni tar DNA-binding protein 0.0141 0.6678 0.6678
Trypanosoma brucei PAB1-binding protein , putative 0.008 0.2792 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13.57 uM Cytotoxicity against human HCT116 cells after 48 hrs by SRB assay ChEMBL. 23036956

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23036956

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.