CP-673451   Click here for help

GtoPdb Ligand ID: 8069

Synonyms: CP-673,451
PDB Ligand
Compound class: Synthetic organic
Comment: CP-673451 is an investigational, selective inhibitor of PDGFRα and PDGFRβ [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 77.91
Molecular weight 417.22
XLogP 3.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N
Isomeric SMILES COCCOc1ccc2c(c1)ncn2c1ccc2c(n1)c(ccc2)N1CCC(CC1)N
InChI InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3
InChI Key DEEOXSOLTLIWMG-UHFFFAOYSA-N
References
1. Roberts WG, Whalen PM, Soderstrom E, Moraski G, Lyssikatos JP, Wang HF, Cooper B, Baker DA, Savage D, Dalvie D et al.. (2005)
Antiangiogenic and antitumor activity of a selective PDGFR tyrosine kinase inhibitor, CP-673,451.
Cancer Res., 65 (3): 957-66. [PMID:15705896]