HMPL-013

Ligand id: 9428

Name: HMPL-013

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 95.71
Molecular weight 393.13
XLogP 2.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
Synonyms
fruquintinib (proposed INN) | HMPL013
Database Links
CAS Registry No. 1194506-26-7 (source: WHO INN)
PubChem CID 44480399
Search Google for chemical match using the InChIKey BALLNEJQLSTPIO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BALLNEJQLSTPIO
Search UniChem for chemical match using the InChIKey BALLNEJQLSTPIO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BALLNEJQLSTPIO
Comments
HMPL-013 is a potent and selective inhibitor of VEGFR 1, 2, 3 tyrosine kinases, being developed for potential antineoplastic efficacy [1]; preclinical data is reported in this reference.