Detailed information for compound 2140051

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.159 | Formula: C18H20N4O2
  • H donors: 3 H acceptors: 3 LogP: 3.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 0
  • SMILES: OCCCNc1nc(Nc2ccc(cc2)OC)nc2c1cccc2
  • InChi: InChI=1S/C18H20N4O2/c1-24-14-9-7-13(8-10-14)20-18-21-16-6-3-2-5-15(16)17(22-18)19-11-4-12-23/h2-3,5-10,23H,4,11-12H2,1H3,(H2,19,20,21,22)
  • InChiKey: AFNWKIKMTQIWHU-UHFFFAOYSA-N  

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 MER proto-oncogene, tyrosine kinase References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR008957,Fibronectin, type III-like fold,domain-containing Get druggable targets OG5_132328 All targets in OG5_132328

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 hypothetical protein 0.0015 0.674 0.8621
Echinococcus multilocularis neuroglian 0.0011 0.365 0.365
Loa Loa (eye worm) hypothetical protein 0.0011 0.365 0.4668
Loa Loa (eye worm) hypothetical protein 0.0011 0.365 0.4668
Loa Loa (eye worm) hypothetical protein 0.0011 0.365 0.4668
Loa Loa (eye worm) hypothetical protein 0.0015 0.691 0.8838
Loa Loa (eye worm) hypothetical protein 0.0015 0.674 0.8621
Loa Loa (eye worm) hypothetical protein 0.0015 0.674 0.8621
Echinococcus granulosus Immunoglobulin 0.0011 0.365 0.365
Loa Loa (eye worm) hypothetical protein 0.0015 0.691 0.8838
Loa Loa (eye worm) hypothetical protein 0.0015 0.674 0.8621
Echinococcus multilocularis Immunoglobulin 0.0011 0.365 0.365
Echinococcus granulosus twitchin 0.0011 0.365 0.365
Echinococcus multilocularis Immunoglobulin 0.0011 0.365 0.365
Brugia malayi Fibronectin type III domain containing protein 0.0015 0.674 0.8621
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.674 0.8621
Echinococcus granulosus neuroglian 0.0011 0.365 0.365
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.365 0.365
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.7818 1
Echinococcus multilocularis roundabout 2 0.0018 1 1
Schistosoma mansoni vesicular amine transporter 0.0011 0.365 0.365
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.691 0.691
Echinococcus granulosus defective proboscis extension response 0.0011 0.365 0.365
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0016 0.7818 1
Schistosoma mansoni nephrin 0.0015 0.674 0.674
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.365 0.365
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.365 0.365
Schistosoma mansoni cell adhesion molecule 0.0018 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.691 0.8838

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.68 uM Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method ChEMBL. 27238842

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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