purvalanol A

Ligand id: 6030

Name: purvalanol A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 87.89
Molecular weight 388.18
XLogP 3.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
Synonyms
AC1L1JD0 | IN1131 | L-745,870
Database Links
CAS Registry No. 212844-53-6
PubChem CID 4987
Search Google for chemical match using the InChIKey PMXCMJLOPOFPBT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PMXCMJLOPOFPBT
Search UniChem for chemical match using the InChIKey PMXCMJLOPOFPBT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PMXCMJLOPOFPBT
Comments
Purvalanol A is a cyclin-dependent kinase (CDK) inhibitor [3].