ribociclib

Ligand id: 7383

Name: ribociclib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 91.21
Molecular weight 434.25
XLogP 1.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
International Nonproprietary Names
INN number INN
9968 ribociclib
Synonyms
example 74 [US8962630] [3] | Kisqali® | LEE-011 | LEE011
Database Links
CAS Registry No. 1211441-98-3 (source: SciFinder)
PubChem CID 44631912
RCSB PDB Ligand 6ZZ
Search Google for chemical match using the InChIKey RHXHGRAEPCAFML-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey RHXHGRAEPCAFML-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RHXHGRAEPCAFML
Comments
Ribociclib is a selective, orally available inhibitor of the cyclin-dependent kinases CDK4 and CDK6 [1,3].