Ribociclib hydrochlorideProduct ingredient for Ribociclib

Name
Ribociclib hydrochloride
Drug Entry
Ribociclib

Ribociclib is a selective cyclin-dependent kinase inhibitor, a class of drugs that help slow the progression of cancer by inhibiting two proteins called cyclin-dependent kinase 4 and 6 (CDK4/6). These proteins, when over-activated, can enable cancer cells to grow and divide too quickly. Targeting CDK4/6 with enhanced precision may play a role in ensuring that cancer cells do not continue to replicate uncontrollably. Ribociclib was approved by the U.S. FDA in March, 2017 as Kisqali.

Accession Number
DBSALT002059
Structure
Thumb
Synonyms
Not Available
UNII
63YF7YKW7E
CAS Number
1211443-80-9
Weight
Average: 471.01
Monoisotopic: 470.2309354
Chemical Formula
C23H31ClN8O
InChI Key
JZRSIQPIKASMEV-UHFFFAOYSA-N
InChI
InChI=1S/C23H30N8O.ClH/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30;/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1H
IUPAC Name
7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide hydrochloride
SMILES
Cl.CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(C=N3)N3CCNCC3)N=C2N1C1CCCC1
ChemSpider
32702923
Predicted Properties
PropertyValueSource
Water Solubility0.231 mg/mLALOGPS
logP2.5ALOGPS
logP2.38ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)11.59ChemAxon
pKa (Strongest Basic)8.87ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.21 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity125.59 m3·mol-1ChemAxon
Polarizability49.1 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon