Detailed information for compound 1539126

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.446 | Formula: C23H22N4O3
  • H donors: 2 H acceptors: 4 LogP: 1.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)c1ccnc2c1CC(O2)(C)C(=O)NCc1ccncc1
  • InChi: 1S/C23H22N4O3/c1-15(28)27-18-5-3-17(4-6-18)19-9-12-25-21-20(19)13-23(2,30-21)22(29)26-14-16-7-10-24-11-8-16/h3-12H,13-14H2,1-2H3,(H,26,29)(H,27,28)
  • InChiKey: SSHTUNXAOYVXAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Brugia malayi latrophilin 2 splice variant baaae 0.0134 0.2293 0.2293
Entamoeba histolytica serine/threonine protein kinase, putative 0.0377 1 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0377 1 1
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6034 0.6034
Loa Loa (eye worm) hypothetical protein 0.0134 0.2293 0.2293
Trypanosoma brucei polo-like protein kinase 0.0377 1 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0377 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0197 0.4269 0.4269
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0377 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0252 0.6034 0.6034
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6034 0.6034
Echinococcus multilocularis tar DNA binding protein 0.0252 0.6034 0.6034
Brugia malayi RNA binding protein 0.0252 0.6034 0.6034
Echinococcus granulosus tar DNA binding protein 0.0252 0.6034 0.6034
Brugia malayi TAR-binding protein 0.0252 0.6034 0.6034
Schistosoma mansoni hypothetical protein 0.0134 0.2293 0.2293
Schistosoma mansoni kinase 0.0192 0.4111 0.4111
Schistosoma mansoni serine/threonine protein kinase 0.0377 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0377 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0377 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0197 0.4269 0.4269
Loa Loa (eye worm) hypothetical protein 0.0197 0.4269 0.4269
Trypanosoma cruzi polo-like protein kinase, putative 0.0377 1 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0377 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6034 0.6034
Trichomonas vaginalis CAMK family protein kinase 0.0377 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0197 0.4269 0.4269
Trichomonas vaginalis CAMK family protein kinase 0.0377 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0377 1 1
Giardia lamblia Kinase, PLK 0.0377 1 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0377 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0377 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6034 0.6034
Trichomonas vaginalis CAMK family protein kinase 0.0377 1 1
Schistosoma mansoni tar DNA-binding protein 0.0252 0.6034 0.6034
Loa Loa (eye worm) TAR-binding protein 0.0252 0.6034 0.6034
Trichomonas vaginalis CAMK family protein kinase 0.0377 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0252 0.6034 0.6034
Loa Loa (eye worm) RNA binding protein 0.0252 0.6034 0.6034

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

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