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

General Information of Drug (ID: DR5651)
Drug Name
Lovastatin acid
Synonyms
Lovastatin acid; Mevinolinic acid; Monacolinic K acid; MSD 803 acid; MSD 803 free acid; UNII-5CLV35Y90C; MK 819; L-154819; L 154819; 5CLV35Y90C; CHEBI:82985; (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID; (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Indication Hypertriglyceridaemia [ICD11: 5C80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 422.6 Topological Polar Surface Area 104
Heavy Atom Count 30 Rotatable Bond Count 11
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
64727
ChEBI ID
CHEBI:82985
CAS Number
75225-51-3
Formula
C24H38O6
Canonical SMILES
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C
InChI
InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
InChIKey
QLJODMDSTUBWDW-BXMDZJJMSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Lovastatin acid M1 PDM013191
8314
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Lovastatin acid M2 PDM013192
14782650
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Lovastatin acid M3 PDM013193 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Lovastatin acid M4 PDM013194 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Lovastatin acid M5 PDM013195 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Lovastatin acid M6 PDM013196 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Lovastatin acid M7 PDM013197 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Lovastatin acid M8 PDM013198 N. A. Conjugation - Glycine conjugation 1 Human
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]
References
1 Lovastatin acid was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Pharmacokinetic comparison of the potential over-the-counter statins simvastatin, lovastatin, fluvastatin and pravastatin. Clin Pharmacokinet. 2008;47(7):463-74.

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