Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1415)
Drug Name
Ribociclib succinate
Synonyms
Ribociclib succinate; Ribociclib succinate (USAN); Ribociclib succinate [USAN]; UNII-BG7HLX2919; 1374639-75-4; 7-Cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide succinate; BG7HLX2919; Butanedioic acid, compd. with 7-cyclopentyl-N,N-dimethyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-7H-pyrrolo(2,3-d)pyrimidine-6-carboxamide (1:1); LEE-011 succinate; LEE011 succinate; LEE011-BBA
Indication Breast cancer [ICD11: 2C60] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 552.6 Topological Polar Surface Area 166
Heavy Atom Count 40 Rotatable Bond Count 8
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
57334219
ChEBI ID
ChEBI:3707266
CAS Number
1374639-75-4
TTD Drug ID
D01HVT
Formula
C27H36N8O5
Canonical SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.C(CC(=O)O)C(=O)O
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)
InChIKey
NHANOMFABJQAAH-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Ribociclib Succinate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 P-glycoprotein limits ribociclib brain exposure and CYP3A4 restricts its oral bioavailability. Mol Pharm. 2019 Sep 3;16(9):3842-3852.

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