CRT 0066101

Ligand id: 8048

Name: CRT 0066101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 101.88
Molecular weight 338.19
XLogP 1.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[[(2R)-2-Aminobutyl]amino]pyrimidin-2-yl]-4-(1-methyl-1H-pyrazol-4-yl)phenol dihydrochloride
Database Links
GtoPdb PubChem SID 249565728
PubChem CID 69074905
Search Google for chemical match using the InChIKey SCJXQZZYGYLKJG-CQSZACIVSA-N
Search Google for chemicals with the same backbone SCJXQZZYGYLKJG
Search UniChem for chemical match using the InChIKey SCJXQZZYGYLKJG-CQSZACIVSA-N
Search UniChem for chemicals with the same backbone SCJXQZZYGYLKJG
Comments
CRT 0066101 is a potent and selective protein kinase D inhibitor [1]. The structure represented here was drawn from [1]. PubChem CID 76844479 represents an alternative tautomer of this compound.