gefitinib

Ligand id: 4941

Name: gefitinib

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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 (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
GtoPdb PubChem SID 178101639
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
Search PubMed clinical trials gefitinib
Search PubMed titles gefitinib
Search PubMed titles/abstracts gefitinib
Search UniChem for chemical match using the InChIKey XGALLCVXEZPNRQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XGALLCVXEZPNRQ
SynPHARM 78743 (in complex with epidermal growth factor receptor)
81180 (in complex with epidermal growth factor receptor)
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].