LY2874455   Click here for help

GtoPdb Ligand ID: 8104

Synonyms: LY-2874455
PDB Ligand
Compound class: Synthetic organic
Comment: LY2874455 is a potent ATP-competitive inhibitor of FGF receptors and VEGFR2 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 88.85
Molecular weight 443.09
XLogP 4.21
No. Lipinski's rules broken 0
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Canonical SMILES OCCn1ncc(c1)C=Cc1n[nH]c2c1cc(cc2)OC(c1c(Cl)cncc1Cl)C
Isomeric SMILES OCCn1ncc(c1)/C=C/c1n[nH]c2c1cc(cc2)O[C@@H](c1c(Cl)cncc1Cl)C
InChI InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
1. Zhao G, Li WY, Chen D, Henry JR, Li HY, Chen Z, Zia-Ebrahimi M, Bloem L, Zhai Y, Huss K et al.. (2011)
A novel, selective inhibitor of fibroblast growth factor receptors that shows a potent broad spectrum of antitumor activity in several tumor xenograft models.
Mol Cancer Ther, 10 (11): 2200-10. [PMID:21900693]