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

General Information of Drug (ID: DR0928)
Drug Name
Letermovir
Synonyms
Letermovir; Letermovir [USAN:INN]; Prevymis; Prevymis (TN); (S)-{8-fluoro-2-[4-(3-methoxyphenyl)piperazine-1-yl]-3-(2-methoxy-5-trifluoromethylphenyl)-3,4-dihydroquinazoline-4-yl}acetic acid; 1H09Y5WO1F; 2-((4S)-8-Fluoro-2-(4-(3-methoxyphenyl)piperazin-1-yl)-3-(2-methoxy-5-(trifluoromethyl)phenyl)-4H-quinazolin-4-yl)acetic acid; 2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid; 917389-32-3; AIC 246; AIC-246; AIC246; UNII-1H09Y5WO1F
Indication Cytomegalovirus infection [ICD11: 1D82] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 572.5 Topological Polar Surface Area 77.8
Heavy Atom Count 41 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
45138674
PubChem SID
92388531 ; 103045327 ; 120177785 ; 123055444 ; 123086332 ; 137837293 ; 163642903 ; 175268695 ; 210275200 ; 210280838 ; 224305963 ; 226710579 ; 243917611
CAS Number
917389-32-3
TTD Drug ID
D0G8PA
Formula
C29H28F4N4O4
Canonical SMILES
COC1=C(C=C(C=C1)C(F)(F)F)N2C(C3=C(C(=CC=C3)F)N=C2N4CCN(CC4)C5=CC(=CC=C5)OC)CC(=O)O
InChI
1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1
InChIKey
FWYSMLBETOMXAG-QHCPKHFHSA-N
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
Letermovir metabolite M1 DM000244 N. A. Conjugation - O-Glucuronidation 1 [2]
Unclear DM009999 N. A. Unclear 1 [2]
Unclear DM009999 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001443 Letermovir Letermovir metabolite M1 Conjugation - O-Glucuronidation UGT1A1 ... [2]
MR001444 Letermovir . Unclear CYP3A5 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_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
[3]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[4]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[2]
References
1 Letermovir was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 LABEL:PREVYMIS- letermovir tablet, film coated PREVYMIS- letermovir injection, solution
3 Absorption, Metabolism, Distribution, and Excretion of Letermovir Curr Drug Metab. 2021;22(10):784-794. doi: 10.2174/1389200222666210223112826.
4 Pharmacogenetic analysis of OATP1B1, UGT1A1, and BCRP variants in relation to the pharmacokinetics of letermovir in previously conducted clinical studies. J Clin Pharmacol. 2019 Sep;59(9):1236-1243.

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