famitinib   

GtoPdb Ligand ID: 7886

Synonyms: compound 9 [PMID: 21028894] | SHR 1020 | SHR-1020 | SHR1020
Compound class: Synthetic organic
Comment: Famitinib is a multi-targeted receptor tyrosine kinase inhibitor [1]. The compound is a structural analogue of sunitinib.
Famitinib is a 'pseudo' INN, that takes the form of an INN for a kinase inhibitor, but has not been submitted to the World Health Organisation for ratification.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 68.44
Molecular weight 410.21
XLogP 2.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)C=C1C(=O)Nc2c1cc(F)cc2)CC
Isomeric SMILES CCN(CCN1CCc2c(C1=O)c(C)c([nH]2)/C=C/1\C(=O)Nc2c1cc(F)cc2)CC
InChI InChI=1S/C23H27FN4O2/c1-4-27(5-2)10-11-28-9-8-19-21(23(28)30)14(3)20(25-19)13-17-16-12-15(24)6-7-18(16)26-22(17)29/h6-7,12-13,25H,4-5,8-11H2,1-3H3,(H,26,29)/b17-13-
InChI Key GKEYKDOLBLYGRB-LGMDPLHJSA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-(2-diethylaminoethyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[4,5-c]pyridin-4-one
Synonyms
compound 9 [PMID: 21028894] | SHR 1020 | SHR-1020 | SHR1020
Database Links
CAS Registry No. 945380-27-8
ChEMBL Ligand CHEMBL1278146
GtoPdb PubChem SID 249565577
PubChem CID 16662431
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