Detailed information for compound 110714

Basic information

Technical information
  • TDR Targets ID: 110714
  • Name: 6,7-dimethoxy-3-(4-nitrophenyl)quinoline
  • MW: 310.304 | Formula: C17H14N2O4
  • H donors: 0 H acceptors: 3 LogP: 3.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2cc(cnc2cc1OC)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H14N2O4/c1-22-16-8-12-7-13(10-18-15(12)9-17(16)23-2)11-3-5-14(6-4-11)19(20)21/h3-10H,1-2H3
  • InChiKey: FLEDIDSHIXDOQR-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 References
Homo sapiens platelet-derived growth factor receptor, alpha 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
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0011 0.007 0.007
Echinococcus granulosus roundabout 2 0.0011 0.007 0.007
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0011 0.007 0.007
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.3237 0.3237
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0011 0.007 0.007
Echinococcus multilocularis tyrosine protein kinase otk 0.0011 0.007 0.007
Schistosoma mansoni roundabout 0.0011 0.007 0.0103
Loa Loa (eye worm) hypothetical protein 0.0015 0.3237 0.3237
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0011 0.007 0.0103
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0011 0.007 0.0103
Schistosoma mansoni nephrin 0.0011 0.007 0.0103
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Echinococcus multilocularis roundabout 2 0.0011 0.007 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0018 0.5643 1
Schistosoma mansoni titin 0.0011 0.007 0.0103
Echinococcus multilocularis hemicentin 1 0.0011 0.007 0.007
Echinococcus multilocularis neuroglian 0.0011 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Echinococcus granulosus neuroglian 0.0019 0.6763 0.6763
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0011 0.007 0.007
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0011 0.007 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Echinococcus multilocularis peroxidasin 0.0011 0.007 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Echinococcus granulosus tyrosine protein kinase otk 0.0011 0.007 0.007
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0011 0.007 0.007
Echinococcus granulosus peroxidasin 0.0011 0.007 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Brugia malayi Prion-like- 0.0011 0.007 0.0124
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0011 0.007 0.007
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0011 0.007 0.007
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0011 0.007 0.007
Echinococcus granulosus hemicentin 1 0.0011 0.007 0.007
Schistosoma mansoni cell adhesion molecule 0.0015 0.3237 0.4787
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Echinococcus multilocularis roundabout 2 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0011 0.007 0.007
Schistosoma mansoni cell adhesion molecule 0.0011 0.007 0.0103
Echinococcus granulosus neuroglian 0.0011 0.007 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Echinococcus granulosus twitchin 0.0019 0.6763 0.6763
Echinococcus granulosus lachesin 0.0011 0.007 0.007
Schistosoma mansoni neuroglian 0.0011 0.007 0.0103
Echinococcus multilocularis lachesin 0.0011 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Schistosoma mansoni cell adhesion molecule 0.0011 0.007 0.0103
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0011 0.007 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Brugia malayi Peroxidasin 0.0011 0.007 0.0124
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Schistosoma mansoni septate junction protein 0.0011 0.007 0.0103
Schistosoma mansoni septate junction protein 0.0011 0.007 0.0103
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Echinococcus granulosus roundabout 2 0.0011 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Schistosoma mansoni cell adhesion molecule 0.0011 0.007 0.0103
Echinococcus multilocularis roundabout 2 0.0011 0.007 0.007
Echinococcus granulosus contactin 0.0011 0.007 0.007
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0018 0.5643 0.5643
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Echinococcus multilocularis hemicentin 1 0.0011 0.007 0.007
Schistosoma mansoni nephrin 0.0019 0.6763 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.007 0.0124
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Schistosoma mansoni tyrosine kinase 0.0014 0.2476 0.3661
Loa Loa (eye worm) hypothetical protein 0.0011 0.007 0.007
Echinococcus multilocularis neuroglian 0.0019 0.6763 0.6763

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.15 uM Inhibition of human PDGF receptor phosphorylation; 0.07-0.15 ChEMBL. 8035419
IC50 (binding) = 0.15 uM Inhibition of human PDGF receptor phosphorylation; 0.07-0.15 ChEMBL. 8035419
IC50 (binding) > 20 uM Concentration required to inhibit phosphorylation of isolated human epidermal growth factor tyrosine kinase receptor by 50% ChEMBL. 8035419
IC50 (binding) > 20 uM Concentration required to inhibit phosphorylation of isolated human epidermal growth factor tyrosine kinase receptor by 50% ChEMBL. 8035419

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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