compound 1 [PMID: 21742770]

Ligand id: 8190

Name: compound 1 [PMID: 21742770]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 67.68
Molecular weight 444.23
XLogP 3.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-1-(4-methoxyphenyl)pyrazolo[3,4-b]pyridin-6-amine
Database Links
ChEMBL Ligand CHEMBL2203524
PubChem CID 71452170
Search Google for chemical match using the InChIKey LZQFMCFJCXQTTG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LZQFMCFJCXQTTG
Search UniChem for chemical match using the InChIKey LZQFMCFJCXQTTG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LZQFMCFJCXQTTG
Comments
Compound 1 was identified as a potent inhibitor of serine/threonine kinase 33 (STK33) in a high-throughput screen of a compound library [1].