GSK-3 inhibitor XIII

Ligand id: 5976

Name: GSK-3 inhibitor XIII

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 66.49
Molecular weight 301.13
XLogP 6.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
Synonyms
K00244
Database Links
CAS Registry No. 404828-08-6
ChEMBL Ligand CHEMBL359482
DrugBank Ligand DB08454
PubChem CID 6419766
RCSB PDB Ligand QPP
Search Google for chemical match using the InChIKey JYCUVOXSZBECAY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JYCUVOXSZBECAY
Search UniChem for chemical match using the InChIKey JYCUVOXSZBECAY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JYCUVOXSZBECAY
Comments
This is compound 3 in [2].