Detailed information for compound 1823299

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.424 | Formula: C21H22N4O3
  • H donors: 1 H acceptors: 2 LogP: 2.58 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOc1ccn2c(c1)ncc2c1ccc2c(n1)c(OCCN)ccc2
  • InChi: 1S/C21H22N4O3/c1-26-11-12-27-16-7-9-25-18(14-23-20(25)13-16)17-6-5-15-3-2-4-19(21(15)24-17)28-10-8-22/h2-7,9,13-14H,8,10-12,22H2,1H3
  • InChiKey: XZOOZZGHEVFMAJ-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 kinase insert domain receptor Starlite/ChEMBL References
Homo sapiens colony stimulating factor 1 receptor Starlite/ChEMBL References
Mus musculus platelet derived growth factor receptor, beta polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
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
Loa Loa (eye worm) hypothetical protein 0.1126 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0118 0.0027
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0052 0.0092 0.0092
Echinococcus granulosus roundabout 2 0.0055 0.0118 0.0118
Loa Loa (eye worm) hypothetical protein 0.0055 0.0118 0.0027
Onchocerca volvulus Tyrosine kinase homolog 0.0173 0.1208 1
Schistosoma mansoni cell adhesion molecule 0.0052 0.0092 0.0092
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.1126 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0222 0.1662 0.1585
Echinococcus multilocularis roundabout 2 0.0055 0.0118 0.0118
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.1126 1 1
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0504 0.4256 0.4256
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.1126 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 176 nM Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluorescence assay ChEMBL. 24900776
IC50 (binding) = 206 nM Inhibition of KDR (unknown origin) ChEMBL. 24900776
IC50 (binding) > 1000 nM Inhibition of cFMS (unknown origin) ChEMBL. 24900776

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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