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

General Information of Drug (ID: DR0290)
Drug Name
Cerivastatin sodium
Synonyms
Cerivastatin sodium [USAN]; Cerivastatin, sodium salt; Certa; DSSTox_CID_26488; DSSTox_GSID_46488; DSSTox_RID_81659; Rivastatin; UNII-6Q18G1060S; Cerivastatin; Cerivastatin [INN:BAN]; HSDB 7357; UNII-AM91H2KS67; cerivastatin; cerivastatin acid; (3R,5S,6E)-7-(4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-6-heptenoic acid; (3R,5S,6E)-7-(4-(p-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoic acid; 145599-86-6; 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-, (3R,5S,6E)-; AM91H2KS67; CHEBI:3558; (+)-Sodium (3R,5S,6E)-7-(4-(p-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoate; 143201-11-0; 6Q18G1060S; 7-(4-(4-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyrid-3-yl)-3,5-dihydroxy-6-heptenoate sodium salt; Bay w 6228; Bay-w-6228; CERIVASTATIN Na; CERIVASTATIN SODIUM; CHEBI:3559; CPD000469148
Indication Hypertriglyceridaemia [ICD11: 5C80] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 481.5 Topological Polar Surface Area 103
Heavy Atom Count 34 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
23663992
ChEBI ID
CHEBI:3559
CAS Number
143201-11-0
TTD Drug ID
D03KIA
Formula
C26H33FNNaO5
Canonical SMILES
CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)[O-])O)O.[Na+]
InChI
1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1
InChIKey
GPUADMRJQVPIAS-QCVDVZFFSA-M
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Desmethylcerivastatin DM001795
71315726
Oxidation - Demethylation 1 [6]
Hydroxycerivastatin DM001794
46781738
Oxidation - Hydroxylation 1 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000601 Cerivastatin sodium Hydroxycerivastatin Oxidation - Hydroxylation CYP2C8 [6]
MR000602 Cerivastatin sodium Desmethylcerivastatin Oxidation - Demethylation CYP3A4 ... [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[4]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[4]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[5]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[5]
⏷ Show the Full List of 6  DME(s)
References
1 Cerivastatin Sodium was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Role of cytochrome P450 2C8 in drug metabolism and interactions. Pharmacol Rev. 2016 Jan;68(1):168-241.
3 Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
4 Drug Interactions Flockhart Table
5 Cerivastatin, genetic variants, and the risk of rhabdomyolysis. Pharmacogenet Genomics. 2011 May;21(5):280-8.
6 DrugBank(Pharmacology-Metabolism)Cerivastatin

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