Ribociclib succinateProduct ingredient for Ribociclib

Name
Ribociclib succinate
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
DBSALT002583
Structure
Thumb
Synonyms
Not Available
External IDs
LEE-011-BBA / LEE011-BBA
UNII
BG7HLX2919
CAS Number
1374639-75-4
Weight
Average: 552.636
Monoisotopic: 552.280866291
Chemical Formula
C27H36N8O5
InChI Key
NHANOMFABJQAAH-UHFFFAOYSA-N
InChI
InChI=1S/C23H30N8O.C4H6O4/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;5-3(6)1-2-4(7)8/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1-2H2,(H,5,6)(H,7,8)
IUPAC Name
7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; butanedioic acid
SMILES
OC(=O)CCC(O)=O.CN(C)C(=O)C1=CC2=C(N=C(NC3=NC=C(C=C3)N3CCNCC3)N=C2)N1C1CCCC1
ChemSpider
35308292
ChEMBL
CHEMBL3707266
Predicted Properties
PropertyValueSource
Water Solubility0.231 mg/mLALOGPS
logP2.5ALOGPS
logP2.38ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)11.57ChemAxon
pKa (Strongest Basic)8.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area91.21 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity125.59 m3·mol-1ChemAxon
Polarizability49.14 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon