lenvatinib   

GtoPdb Ligand ID: 7426

Synonyms: E 7080 | ER-203492-00 | Kisplyx® | Lenvima®
lenvatinib is an approved drug (FDA & EMA (2015))
Compound class: Synthetic organic
Comment: Lenvatinib is a potent inhibitor of VEGFR-2 (KDR) and VEGFR-3 (FLT4) [2].
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 115.57
Molecular weight 426.11
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1
Isomeric SMILES COc1cc2nccc(c2cc1C(=O)N)Oc1ccc(c(c1)Cl)NC(=O)NC1CC1
InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
InChI Key WOSKHXYHFSIKNG-UHFFFAOYSA-N
References
1. Kudo M, Finn RS, Qin S, Han KH, Ikeda K, Piscaglia F, Baron A, Park JW, Han G, Jassem J et al.. (2018)
Lenvatinib versus sorafenib in first-line treatment of patients with unresectable hepatocellular carcinoma: a randomised phase 3 non-inferiority trial.
Lancet, 391 (10126): 1163-1173. [PMID:29433850]
2. Musumeci F, Radi M, Brullo C, Schenone S. (2012)
Vascular endothelial growth factor (VEGF) receptors: drugs and new inhibitors.
J. Med. Chem., 55 (24): 10797-822. [PMID:23098265]