Detailed information for compound 215452

Basic information

Technical information
  • TDR Targets ID: 215452
  • Name: N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7 -(2-methoxyethoxy)quinazolin-4-yl]piperazine- 1-carboxamide
  • MW: 568.623 | Formula: C31H32N6O5
  • H donors: 2 H acceptors: 3 LogP: 4.1 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCOc1cc2ncnc(c2cc1OC)N1CCN(CC1)C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)cc[nH]2
  • InChi: 1S/C31H32N6O5/c1-39-15-16-41-29-19-27-25(18-28(29)40-2)30(34-20-33-27)36-11-13-37(14-12-36)31(38)35-22-3-5-23(6-4-22)42-24-7-8-26-21(17-24)9-10-32-26/h3-10,17-20,32H,11-16H2,1-2H3,(H,35,38)
  • InChiKey: JDPYFIGKIIQSSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(1H-indol-5-yloxy)phenyl]-4-[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]-1-piperazinecarboxamide

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 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0018 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.2001 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0047 0.0047
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0016 0.0047 0.0047
Schistosoma mansoni nephrin 0.0014 0.0038 0.9052
Echinococcus granulosus twitchin 0.0014 0.0038 0.674
Echinococcus granulosus Immunoglobulin 0.0011 0.0024 0.4186
Echinococcus multilocularis neuroglian 0.0014 0.0038 0.674
Echinococcus granulosus roundabout 2 0.0018 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0024
Brugia malayi hypothetical protein 0.0011 0.0024 0.0024
Schistosoma mansoni cell adhesion molecule 0.0015 0.0042 1
Loa Loa (eye worm) hypothetical protein 0.2001 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0024 0.0024
Echinococcus multilocularis Immunoglobulin 0.0011 0.0024 0.4186
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0024
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0024 0.5622
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0007 0 0.5
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0024 0.0024
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.2001 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0024
Echinococcus granulosus defective proboscis extension response 0.0011 0.0024 0.4186
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0042 0.7446
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0024 0.4186
Echinococcus multilocularis roundabout 2 0.0018 0.0056 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0024 0.5622
Echinococcus multilocularis Immunoglobulin 0.0011 0.0024 0.4186
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0024
Schistosoma mansoni vesicular amine transporter 0.0011 0.0024 0.5622
Echinococcus granulosus neuroglian 0.0014 0.0038 0.674
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0011 0.0024 0.0024
Schistosoma mansoni tyrosine kinase 0.0008 0.0005 0.122

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.009 uM Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma ChEMBL. 12166950
IC50 (binding) = 0.009 uM Inhibition of platelet-derived growth factor receptor beta phosphorylation in MG63 cells in the absence of plasma ChEMBL. 12166950
IC50 (binding) = 0.167 uM Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma ChEMBL. 12166950
IC50 (binding) = 0.167 uM Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasma ChEMBL. 12166950
T1/2 (ADMET) = 25 min T1/2 in human liver microsomes ChEMBL. 12166950
T1/2 (ADMET) = 25 min T1/2 in human liver microsomes ChEMBL. 12166950

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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