Detailed information for compound 944950

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 305.306 | Formula: C18H12FN3O
  • H donors: 2 H acceptors: 1 LogP: 2.8 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1nc(c[nH]c1=O)c1c[nH]c2c1cccc2
  • InChi: 1S/C18H12FN3O/c19-12-7-5-11(6-8-12)17-18(23)21-10-16(22-17)14-9-20-15-4-2-1-3-13(14)15/h1-10,20H,(H,21,23)
  • InChiKey: GMZJZNLXZRFAOB-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 platelet-derived growth factor receptor, beta polypeptide 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
Loa Loa (eye worm) hypothetical protein 0.0018 0.1322 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.1083 1
Schistosoma mansoni vesicular amine transporter 0.0011 0.0477 0.5013
Echinococcus multilocularis neuroglian 0.0014 0.0848 0.4393
Mycobacterium ulcerans AraC/XylS family transcriptional regulator 0.0085 1 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0951 0.5607
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0085 1 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0477 0.5013
Mycobacterium ulcerans transcriptional regulatory protein 0.0085 1 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0477 0.5013
Echinococcus granulosus neuroglian 0.0014 0.0848 0.4393
Echinococcus granulosus roundabout 2 0.0018 0.1322 1
Mycobacterium tuberculosis Transcriptional regulatory protein (probably AraC-family) 0.0085 1 0.5
Schistosoma mansoni nephrin 0.0014 0.0848 0.892
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0085 1 0.5
Mycobacterium tuberculosis Virulence-regulating transcriptional regulator VirS (AraC/XylS family) 0.0085 1 0.5
Mycobacterium ulcerans Ada regulatory protein AlkA 0.0085 1 0.5
Mycobacterium ulcerans transcriptional regulatory protein 0.0085 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0951 0.5607
Echinococcus granulosus twitchin 0.0014 0.0848 0.4393
Schistosoma mansoni cell adhesion molecule 0.0015 0.0951 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.1322 1
Echinococcus multilocularis roundabout 2 0.0018 0.1322 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0016 0.1083 0.717

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 uM Inhibition of human recombinant PDGFRbeta using poly(Ala,Glu,Lys,Tyr) substrate ChEMBL. 25007344

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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