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]
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.
Database Links
BindingDB Ligand 126500
GtoPdb PubChem SID 249565733
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