Detailed information for compound 168562

Basic information

Technical information
  • TDR Targets ID: 168562
  • Name: 4-(5-methylquinazolin-4-yl)-N-(4-phenoxypheny l)piperazine-1-carboxamide
  • MW: 439.509 | Formula: C26H25N5O2
  • H donors: 1 H acceptors: 3 LogP: 4.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ncnc2c1c(C)ccc2)Nc1ccc(cc1)Oc1ccccc1
  • InChi: 1S/C26H25N5O2/c1-19-6-5-9-23-24(19)25(28-18-27-23)30-14-16-31(17-15-30)26(32)29-20-10-12-22(13-11-20)33-21-7-3-2-4-8-21/h2-13,18H,14-17H2,1H3,(H,29,32)
  • InChiKey: NLPNIUVVCDHSBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(5-methyl-4-quinazolinyl)-N-(4-phenoxyphenyl)-1-piperazinecarboxamide
  • 4-(5-methylquinazolin-4-yl)-N-[4-(phenoxy)phenyl]piperazine-1-carboxamide
  • 4-(5-methyl-4-quinazolinyl)-N-[4-(phenoxy)phenyl]-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
Echinococcus multilocularis fetal alzheimer antigen, falz 0.002 0.0622 0.0647
Loa Loa (eye worm) hypothetical protein 0.0043 0.1688 0.1764
Echinococcus granulosus histone lysine methyltransferase setb 0.0043 0.1688 0.2198
Loa Loa (eye worm) hypothetical protein 0.0015 0.0354 0.0206
Schistosoma mansoni vesicular amine transporter 0.0011 0.0178 0.0252
Echinococcus granulosus geminin 0.0154 0.705 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0354 0.0257
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0015 0.0382 0.0297
Trypanosoma cruzi ISWI complex protein 0.0014 0.0305 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0043 0.1688 0.2394
Brugia malayi Pre-SET motif family protein 0.0189 0.8742 1
Echinococcus multilocularis neuroglian 0.0014 0.0316 0.0201
Brugia malayi Bromodomain containing protein 0.0035 0.1312 0.1324
Schistosoma mansoni hypothetical protein 0.0154 0.705 1
Plasmodium vivax SET domain protein, putative 0.0027 0.0942 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0054 0.2248 0.3013
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0033 0.1208 0.1499
Brugia malayi Pre-SET motif family protein 0.0027 0.0942 0.0892
Trypanosoma cruzi ISWI complex protein 0.0014 0.0305 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.273 0.298
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0189 0.8742 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0493 0.0368
Schistosoma mansoni hypothetical protein 0.0014 0.0305 0.0433
Leishmania major hypothetical protein, conserved 0.0014 0.0305 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0043 0.1688 0.2394
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0043 0.1688 0.2198
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0033 0.1208 0.1499
Echinococcus multilocularis roundabout 2 0.0018 0.0493 0.0458
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0016 0.0403 0.0264
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0027 0.0942 0.1336
Echinococcus granulosus twitchin 0.0014 0.0316 0.0201
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.0382 0.0542
Trypanosoma brucei ISWI complex protein 0.0014 0.0305 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0027 0.0942 0.1336
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0027 0.0942 0.1112
Loa Loa (eye worm) hypothetical protein 0.0039 0.1502 0.1546
Schistosoma mansoni hypothetical protein 0.0019 0.0539 0.0764
Schistosoma mansoni hypothetical protein 0.0154 0.705 1
Echinococcus granulosus fetal alzheimer antigen falz 0.002 0.0622 0.0647
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0054 0.2248 0.3013
Loa Loa (eye worm) hypothetical protein 0.0018 0.0493 0.0368
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0178 0.0252
Echinococcus granulosus neuroglian 0.0014 0.0316 0.0201
Schistosoma mansoni cell adhesion molecule 0.0015 0.0354 0.0502
Brugia malayi Bromodomain containing protein 0.0068 0.2917 0.3199
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0026 0.0894 0.1042
Schistosoma mansoni bromodomain containing protein 0.0057 0.2405 0.3411
Echinococcus multilocularis geminin 0.0154 0.705 1
Loa Loa (eye worm) bromodomain containing protein 0.0016 0.0409 0.027
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.002 0.0622 0.0883
Echinococcus granulosus roundabout 2 0.0018 0.0493 0.0458
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0027 0.0942 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0178 0.0252
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0403 0.0264
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.0382 0.0542
Loa Loa (eye worm) hypothetical protein 0.0037 0.1418 0.1449
Schistosoma mansoni zinc finger protein 0.0014 0.0305 0.0433
Echinococcus multilocularis zinc finger protein 0.0018 0.0492 0.0458
Trichomonas vaginalis set domain proteins, putative 0.0215 1 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0019 0.0539 0.0422
Schistosoma mansoni zinc finger protein 0.0018 0.0492 0.0698
Echinococcus granulosus methyl CpG binding domain protein 2 0.0015 0.0382 0.0297
Schistosoma mansoni nephrin 0.0014 0.0316 0.0448
Loa Loa (eye worm) hypothetical protein 0.0035 0.1315 0.1328
Brugia malayi PHD-finger family protein 0.0023 0.0726 0.064
Echinococcus granulosus zinc finger protein 0.0018 0.0492 0.0458

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.25 uM l-1 Inhibitory concentration against platelet-derived growth factor receptor beta phosphorylation in CHO cells ChEMBL. 12941321
IC50 (functional) = 6.25 uM l-1 Inhibitory concentration against platelet-derived growth factor receptor beta phosphorylation in CHO cells ChEMBL. 12941321

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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