gefitinib

Ligand id: 4941

Name: gefitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 68.74
Molecular weight 446.15
XLogP 3.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2003), EMA (2009))
IUPAC Name
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
International Nonproprietary Names
INN number INN
8204 gefitinib
Synonyms
Iressa®
ZD 1839
ZD1839
Database Links
CAS Registry No. 184475-35-2
ChEBI CHEBI:49668
ChEMBL Ligand CHEMBL939
DrugBank Ligand DB00317
PubChem CID 123631
RCSB PDB Ligand IRE
Search Google for chemical match using the InChIKey XGALLCVXEZPNRQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XGALLCVXEZPNRQ
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Wikipedia Gefitinib
Comments
Gefitinib is an orally active Type-1 kinase inhibitor and was first approved by the US FDA in 2003. Gefitinib has selectivity for the EGFR [4].