Detailed information for compound 171005

Basic information

Technical information
  • TDR Targets ID: 171005
  • Name: ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)pip erazine-1-carbonyl]amino]benzoate
  • MW: 465.502 | Formula: C24H27N5O5
  • H donors: 1 H acceptors: 4 LogP: 2.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)c1ncnc2c1cc(OC)c(c2)OC
  • InChi: 1S/C24H27N5O5/c1-4-34-23(30)16-5-7-17(8-6-16)27-24(31)29-11-9-28(10-12-29)22-18-13-20(32-2)21(33-3)14-19(18)25-15-26-22/h5-8,13-15H,4,9-12H2,1-3H3,(H,27,31)
  • InChiKey: SBRLCMBVANZVEY-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester
  • ethyl 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbonylamino]benzoate
  • 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester

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
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0334 0.0334
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0147 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0334 0.0334
Echinococcus multilocularis neuroglian 0.0014 0.0537 0.0537
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0594 0.0594
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0015 0.0594 0.0594
Schistosoma mansoni tyrosine kinase 0.0008 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0011 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0011 0.0334 0.0334
Echinococcus granulosus defective proboscis extension response 0.0011 0.0334 0.0334
Schistosoma mansoni rotamase 0.0147 1 1
Echinococcus granulosus twitchin 0.0014 0.0537 0.0537
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0144 0.9754 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0666 0.0666
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0334 0.0334
Trichomonas vaginalis rotamase, putative 0.0147 1 1
Schistosoma mansoni vesicular amine transporter 0.0011 0.0334 0.0334
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0797 0.0797
Loa Loa (eye worm) hypothetical protein 0.0011 0.0334 0.0334
Echinococcus multilocularis Immunoglobulin 0.0011 0.0334 0.0334
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0045 0.2718 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0144 0.9754 0.5
Echinococcus granulosus roundabout 2 0.0018 0.0797 0.0797
Toxoplasma gondii peptidylprolyl isomerase 0.0144 0.9754 1
Echinococcus granulosus expressed protein 0.0147 1 1
Echinococcus multilocularis expressed protein 0.0147 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0147 1 1
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0334 0.0334
Brugia malayi hypothetical protein 0.0011 0.0334 0.0334
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0144 0.9754 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0797 0.0797
Schistosoma mansoni nephrin 0.0014 0.0537 0.0537
Echinococcus multilocularis roundabout 2 0.0018 0.0797 0.0797
Loa Loa (eye worm) hypothetical protein 0.0011 0.0334 0.0334
Echinococcus granulosus neuroglian 0.0014 0.0537 0.0537
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0144 0.9754 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0016 0.0666 0.0666
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0144 0.9754 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0011 0.0334 0.0334
Echinococcus multilocularis Immunoglobulin 0.0011 0.0334 0.0334
Schistosoma mansoni cell adhesion molecule 0.0015 0.0594 0.0594
Echinococcus granulosus Immunoglobulin 0.0011 0.0334 0.0334

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.19 uM l-1 Inhibition of PDGF-BB-induced proliferation of porcine aorta smooth muscle cells ChEMBL. 12086491
IC50 (binding) = 0.74 uM l-1 Inhibition of Platelet-derived growth factor receptor beta phosphorylation ChEMBL. 12086491
IC50 (binding) = 0.74 uM l-1 Inhibition of Platelet-derived growth factor receptor beta phosphorylation ChEMBL. 12086491

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.