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

General Information of Drug (ID: DR0171)
Drug Name
Baloxavir marboxil
Prodrug Info Baloxavir marboxil is the prodrug of Baloxavir acid
Synonyms
Baloxavir marboxil; Baloxavir marboxil (JAN/USAN/INN); Baloxavir marboxil [INN]; Xofluza (TN); (((R)-12-((S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-6,8-dioxo-3,4,6,8,12,12a-hexahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl)oxy)methyl methyl carbonate; 1985606-14-1; 505CXM6OHG; CS-0030527; D11021; EX-A1867; HY-109025; SCHEMBL20108731; UNII-505CXM6OHG
Indication Influenza virus infection [ICD11: 1E30] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 571.6 Topological Polar Surface Area 123
Heavy Atom Count 40 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
124081896
CAS Number
1985606-14-1
TTD Drug ID
D0O5AG
Formula
C27H23F2N3O7S
Canonical SMILES
COC(=O)OCOC1=C2C(=O)N3CCOCC3N(N2C=CC1=O)C4C5=C(CSC6=CC=CC=C46)C(=C(C=C5)F)F
InChI
1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1
InChIKey
RZVPBGBYGMDSBG-GGAORHGYSA-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
Baloxavir acid DM016562
124081876
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR014170 Baloxavir marboxil Baloxavir acid Unclear - Unclear CYP3A4 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Arylacetamide deacetylase (AADAC) DMEN272 Homo sapiens
AAAD_HUMAN
3.1.1.3
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[3]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[2]
References
1 Baloxavir Marboxil was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Pharmacokinetics and safety of a novel influenza treatment (baloxavir marboxil) in Korean subjects compared with Japanese subjects
3 FDA Label of Baloxavir marboxil. The 2020 official website of the U.S. Food and Drug Administration.

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