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

General Information of Drug (ID: DR1714)
Drug Name
Voxilaprevir
Synonyms Voxilaprevir; Voxilaprevir (USAN/INN); Voxilaprevir [USAN:INN]; 0570F37359;J3.665.048F; 1535212-07-7; CS-0017027; D10899; DB12026; GS-9857; HY-19840; L9P; SCHEMBL15412621; UNII-0570F37359
Indication Viral hepatitis [ICD11: 1E51] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 868.9 Topological Polar Surface Area 204
Heavy Atom Count 60 Rotatable Bond Count 9
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 15
Cross-matching ID
PubChem CID
89921642
CAS Number
1535212-07-7
Formula
C40H52F4N6O9S
Canonical SMILES
CCC1C2CN(C1C(=O)NC3(CC3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)C(NC(=O)OC5CC5CCCCC(C6=NC7=C(C=C(C=C7)OC)N=C6O2)(F)F)C(C)(C)C
InChI
1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1
InChIKey
MZBLZLWXUBZHSL-FZNJKFJKSA-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
Unclear DM009999 N. A. Unclear 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013252 Voxilaprevir Unclear Unclear CYP3A4 [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[3]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[4]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[5]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
⏷ Show the Full List of 6  DME(s)
References
1 Voxilaprevir was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Management of Unique Populations with HCV Infection
3 DrugBank(Pharmacology-Metabolism):Voxilaprevir
4 FDA Label of Vosevi. The 2020 official website of the U.S. Food and Drug Administration.
5 FDA Label of Vosevi. The 2020 official website of the U.S. Food and Drug Administration

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