purvalanol B

Ligand id: 7806

Name: purvalanol B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 125.19
Molecular weight 432.17
XLogP 2.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid
Synonyms
NG-95 | NG95
Database Links
CAS Registry No. 212844-54-7
ChEMBL Ligand CHEMBL23254
PubChem CID 448991
RCSB PDB Ligand PVB
Search Google for chemical match using the InChIKey ZKDXRFMOHZVXSG-HNNXBMFYSA-N
Search Google for chemicals with the same backbone ZKDXRFMOHZVXSG
Search UniChem for chemical match using the InChIKey ZKDXRFMOHZVXSG-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone ZKDXRFMOHZVXSG
Comments
Purvalanol B is a cyclin-dependent kinase (CDK) inhibitor [1].