ZM-306416   Click here for help

GtoPdb Ligand ID: 8245

Synonyms: CB-676475 | ZM 306416 | ZM306416
Compound class: Synthetic organic
Comment: ZM-306416 is reported as an inhibitor of VEGFR and EGFR [1]. Hennequin et al (1999) report selectivity for VEGFR2 (KDR) over VEGFR1 (Flt-1) [2] (ZM-306416 is compound 4 in [2]).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 56.27
Molecular weight 333.07
XLogP 3.37
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1F)Cl
Isomeric SMILES COc1cc2c(ncnc2cc1OC)Nc1ccc(cc1F)Cl
InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
1. Antczak C, Mahida JP, Bhinder B, Calder PA, Djaballah H. (2012)
A high-content biosensor-based screen identifies cell-permeable activators and inhibitors of EGFR function: implications in drug discovery.
J Biomol Screen, 17 (7): 885-99. [PMID:22573732]
2. Hennequin LF, Thomas AP, Johnstone C, Stokes ES, Plé PA, Lohmann JJ, Ogilvie DJ, Dukes M, Wedge SR, Curwen JO et al.. (1999)
Design and structure-activity relationship of a new class of potent VEGF receptor tyrosine kinase inhibitors.
J Med Chem, 42 (26): 5369-89. [PMID:10639280]