PKI166

Ligand id: 7642

Name: PKI166

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 73.83
Molecular weight 330.15
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[4,5-e]pyrimidin-6-yl]phenol
Synonyms
NVP-PKI166 | PKI-166
Database Links
CAS Registry No. 187724-61-4
ChEMBL Ligand CHEMBL1963502
PubChem CID 6918403
Search Google for chemical match using the InChIKey XRYJULCDUUATMC-CYBMUJFWSA-N
Search Google for chemicals with the same backbone XRYJULCDUUATMC
Search UniChem for chemical match using the InChIKey XRYJULCDUUATMC-CYBMUJFWSA-N
Search UniChem for chemicals with the same backbone XRYJULCDUUATMC
Comments
PKI166 is an experimental, reversible inhibitor of epidermal growth factor receptor tyrosine kinase [1]. This is compound 46 in [2]. Development of this compound as a clinical candidate has been terminated.