icotinib   Click here for help

GtoPdb Ligand ID: 7641

Synonyms: BPI-2009H | Conmana®
Approved drug
icotinib is an approved drug (China (2011))
Compound class: Synthetic organic
Comment: Icotinib is a selective, orally available epidermal growth factor receptor tyrosine kinase inhibitor [1-3]. Icotinib is a 'pseudo' INN, that takes the form of an INN, but has not been submitted to the World Health Organisation for ratification.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 74.73
Molecular weight 391.15
XLogP 2.49
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2
Isomeric SMILES C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2
InChI InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2011))
IUPAC Name Click here for help
Synonyms Click here for help
BPI-2009H | Conmana®
Database Links Click here for help
CAS Registry No. 610798-31-7 (source: SciFinder)
ChEMBL Ligand CHEMBL2087361
DrugCentral Ligand 5209
GtoPdb PubChem SID 223365976
PubChem CID 22024915
Search Google for chemical match using the InChIKey QQLKULDARVNMAL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QQLKULDARVNMAL
UniChem Compound Search for chemical match using the InChIKey QQLKULDARVNMAL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QQLKULDARVNMAL-UHFFFAOYSA-N
Wikipedia Icotinib