roniciclib

Ligand id: 7874

Name: roniciclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 116.57
Molecular weight 430.13
XLogP 4.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R)-3-((2-((4-(cyclopropanesulfonimidoyl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)oxy)butan-2-ol
International Nonproprietary Names
INN number INN
9806 roniciclib
Synonyms
BAY 10-00394 | BAY 1000394 | KB-145902
Comments
Roniciclib is an orally bioavailable cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity, with selectively for CDK1/cyclin B, CDK2/cyclin E, CDK4/cyclin D1, and CDK9/cyclin T1, which play key roles in the regulation of cell cycle progression and cellular proliferation [1-2].
Database Links
CAS Registry No. 1223498-69-8
GtoPdb PubChem SID 223366203
PubChem CID 45380979
Search Google for chemical match using the InChIKey UELYDGOOJPRWGF-MFOHZAOFSA-N
Search Google for chemicals with the same backbone UELYDGOOJPRWGF
Search PubMed clinical trials roniciclib
Search PubMed titles roniciclib
Search PubMed titles/abstracts roniciclib
Search UniChem for chemical match using the InChIKey UELYDGOOJPRWGF-MFOHZAOFSA-N
Search UniChem for chemicals with the same backbone UELYDGOOJPRWGF
SynPHARM 80716 (in complex with cyclin dependent kinase 2)