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Details

Stereochemistry ACHIRAL
Molecular Formula C23H30N8O
Molecular Weight 434.5373
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIBOCICLIB

SMILES

CN(C)C(=O)C1=CC2=C(N=C(NC3=CC=C(C=N3)N4CCNCC4)N=C2)N1C5CCCC5

InChI

InChIKey=RHXHGRAEPCAFML-UHFFFAOYSA-N
InChI=1S/C23H30N8O/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)

HIDE SMILES / InChI

Molecular Formula C23H30N8O
Molecular Weight 434.5373
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 11:00:29 UTC 2018
Edited
by admin
on Tue Mar 06 11:00:29 UTC 2018
Record UNII
TK8ERE8P56
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIBOCICLIB
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
LEE011
Code English
RIBOCICLIB [INN]
Common Name English
LEE-011A
Code English
RIBOCICLIB [USAN]
Common Name English
7H-PYRROLO(2,3-D)PYRIMIDINE-6-CARBOXAMIDE, 7-CYCLOPENTYL-N,N-DIMETHYL-2-((5-(1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-
Systematic Name English
RIBOCICLIB [WHO-DD]
Common Name English
LEE011A
Code English
LEE-011
Code English
Code System Code Type Description
NCI_THESAURUS
C95701
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY
INN
9968
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY
EVMPD
SUB180246
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY
ChEMBL
CHEMBL3545110
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY
WIKIPEDIA
Ribociclib
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY
PUBCHEM
44631912
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY SWITZERF
CAS
1211441-98-3
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY
RXCUI
1873916
Created by admin on Tue Mar 06 11:00:29 UTC 2018 , Edited by admin on Tue Mar 06 11:00:29 UTC 2018
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> INHIBITOR
Ki
EXCRETED UNCHANGED
FECAL
METABOLIC ENZYME -> SUBSTRATE
Coadministration of a strong CYP3A4 inducer (rifampin) decreased the plasma AUC of ribociclib by 89%. The concomitant use of strong CYP3A4 inducers with ribociclib should be avoided.: In a dedicated drug-interaction trial, concomitant ritonavir (a strong CYP3A4 inhibitor) increased a single dose ribociclib’s Cmax by 1.7-fold and the AUC by 3.2-fold.
EXCRETED UNCHANGED
URINE
TRANSPORTER -> INHIBITOR
Ki
TRANSPORTER -> INHIBITOR
Ki
METABOLIC ENZYME -> INHIBITOR
A time-dependent inhibitor (TDI) of CYP3A4/5 (Ki,u: 4.44 μM; kinact: 0.02 min-1 ). In vivo, ribociclib is a CYP3A perpetrator . Ribociclib dosed at 400 mg QD increased the coadministrated midazolam (a sensitive CYP3A4 substrate) AUC by 3.8-fold. Ribociclib given at the recommended dose of 600 mg QD is predicted to increase the midazolam AUC by 5.2-fold.
TIME-DEPENDENT INHIBITION
Ki
BINDER -> LIGAND
BINDING
TARGET -> INHIBITOR
IC50
METABOLIC ENZYME -> INHIBITOR
Ki
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY