compound 7k [PMID: 23521020]

Ligand id: 8164

Name: compound 7k [PMID: 23521020]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 59.29
Molecular weight 386.09
XLogP 5.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(3-chlorophenyl)-4-methyl-3-(2-pyrazolo[1,5-a]pyrimidin-6-ylethynyl)benzamide
Database Links
ChEMBL Ligand CHEMBL2336037
PubChem CID 71624791
Search Google for chemical match using the InChIKey PSBGROLQRNSAMY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PSBGROLQRNSAMY
Search UniChem for chemical match using the InChIKey PSBGROLQRNSAMY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PSBGROLQRNSAMY
Comments
Compound 7k is a small molecule identified in a medicinal chemistry study to identify orally available inhibitors of [1] discoidin domain receptor 1 (DDR1) kinase [1].