NVP-2

Ligand id: 8053

Name: NVP-2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 104.12
Molecular weight 512.27
XLogP 2.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-({[6-(5-chloro-2-{[(1r,4r)-4-{[(2R)-1-methoxypropan-2-yl]amino}cyclohexyl]amino}pyridin-4-yl)pyridin-2-yl]amino}methyl)oxane-4-carbonitrile
Synonyms
Compound 310 [US8778951] [2] | Example 93 [US8778951]
Database Links
BindingDB Ligand 126500
PubChem CID 66937006
Search Google for chemical match using the InChIKey XWQVQSXLXAXOPJ-NJDAHSKKSA-N
Search Google for chemicals with the same backbone XWQVQSXLXAXOPJ
Search UniChem for chemical match using the InChIKey XWQVQSXLXAXOPJ-NJDAHSKKSA-N
Search UniChem for chemicals with the same backbone XWQVQSXLXAXOPJ
Comments
NVP-2 is one of the compounds claimed in patent WO2011012661 [1]. NVP-2 is an inhibitor of the cyclin-dependent kinase, CDK9.
PubChem CID 77201406 represents the compound without stereochemistry, and PubChem CID 66937006 has stereochemistry specified at only one of the chiral centers.