orantinib   Click here for help

GtoPdb Ligand ID: 7816

Synonyms: SU-6668 | TSU-68
PDB Ligand
Compound class: Synthetic organic
Comment: Orantinib is a multi-kinase inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 82.19
Molecular weight 310.13
XLogP 1.88
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)CCc1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cccc2
Isomeric SMILES OC(=O)CCc1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cccc2
InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
1. Kammasud N, Boonyarat C, Sanphanya K, Utsintong M, Tsunoda S, Sakurai H, Saiki I, André I, Grierson DS, Vajragupta O. (2009)
5-Substituted pyrido[2,3-d]pyrimidine, an inhibitor against three receptor tyrosine kinases.
Bioorg Med Chem Lett, 19 (3): 745-50. [PMID:19110422]
2. Sun L, Tran N, Liang C, Tang F, Rice A, Schreck R, Waltz K, Shawver LK, McMahon G, Tang C. (1999)
Design, synthesis, and evaluations of substituted 3-[(3- or 4-carboxyethylpyrrol-2-yl)methylidenyl]indolin-2-ones as inhibitors of VEGF, FGF, and PDGF receptor tyrosine kinases.
J Med Chem, 42 (25): 5120-30. [PMID:10602697]