CHMFL-KIT-8140

Ligand id: 9301

Name: CHMFL-KIT-8140

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 114.05
Molecular weight 651.27
XLogP 6.24
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(1-{4-[({3-[(6,7-dimethoxyquinolin-3-yl)oxy]phenyl}carbamoyl)amino]-2-(trifluoromethyl)phenyl}piperidin-4-yl)methyl]propanamide
Database Links
PubChem CID 122173995
Search Google for chemical match using the InChIKey QNWLWBMZIXFBPZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QNWLWBMZIXFBPZ
Search UniChem for chemical match using the InChIKey QNWLWBMZIXFBPZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QNWLWBMZIXFBPZ
Comments
CHMFL-KIT-8140 is a type II KIT inhibitor capable of inhibiting the wild type kinase and theT670I gatekeeper mutant [1]. KIT is a Tec family receptor tyrosine kinase.