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

General Information of Drug (ID: DR0364)
Drug Name
Cobicistat
Synonyms
Cobicistat; Cobicistat (GS-9350); Cobicistat,GS-9350; LW2E03M5PG; Tybost; 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate; 1004316-88-4; CHEBI:72291; GS 9350; GS-9350; UNII-LW2E03M5PG; thiazol-5-ylmethyl (2R,5R)-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanamido)-1,6-diphenylhexan-2-ylcarbamate
Indication Human immunodeficiency virus infection [ICD11: 1C60] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 776 Topological Polar Surface Area 195
Heavy Atom Count 54 Rotatable Bond Count 20
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
25151504
PubChem SID
57245301 ; 81022985 ; 135021019 ; 135626633 ; 137255615 ; 141580642 ; 152258234 ; 160647070 ; 160697744 ; 160962910 ; 161005264 ; 164045125 ; 164194074 ; 175265978 ; 187051836 ; 194945367 ; 223381921 ; 223722822 ; 226087995 ; 228820860 ; 249282831 ; 249814477 ; 252215178 ; 252451833
ChEBI ID
ChEBI:72291
CAS Number
1004316-88-4
TTD Drug ID
D02VJP
Formula
C40H53N7O5S2
Canonical SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5
InChI
1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1
InChIKey
ZCIGNRJZKPOIKD-CQXVEOKZSA-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
Cobicistat metabolite M1 DM001503 N. A. Unclear 1 [4]
Cobicistat metabolite M10 DM001501 N. A. Unclear 1 [4]
Cobicistat metabolite M11 DM001512 N. A. Unclear 1 [4]
Cobicistat metabolite M17 DM001515 N. A. Unclear 1 [4]
Cobicistat metabolite M18 DM001513 N. A. Unclear 1 [4]
Cobicistat metabolite M19 DM001514 N. A. Unclear 1 [4]
Cobicistat metabolite M2 DM001499 N. A. Unclear 1 [4]
Cobicistat metabolite M2-1 DM001510 N. A. Unclear 1 [4]
Cobicistat metabolite M2-2 DM001511 N. A. Unclear 1 [4]
Cobicistat metabolite M3 DM001494 N. A. Unclear 1 [4]
Cobicistat metabolite M9 DM001497 N. A. Unclear 1 [4]
Cobicistat metabolite M9-1 DM001509 N. A. Unclear 1 [4]
Cobicistat metabolite 14 DM001507 N. A. Unclear 2 [4]
Cobicistat metabolite M12 DM001505 N. A. Unclear 2 [4]
Cobicistat metabolite M13 DM001506 N. A. Unclear 2 [4]
Cobicistat metabolite M15 DM001496 N. A. Unclear 2 [4]
Cobicistat metabolite M16 DM001498 N. A. Unclear 2 [4]
Cobicistat metabolite M20 DM001502 N. A. Unclear 2 [4]
Cobicistat metabolite M4 DM001500 N. A. Unclear 2 [4]
Cobicistat metabolite M6 DM001504 N. A. Unclear 2 [4]
Cobicistat metabolite M7 DM001495 N. A. Unclear 2 [4]
Cobicistat metabolite M8 DM001508 N. A. Unclear 2 [4]
Cobicistat metabolite M15 DM001496 N. A. Unclear 3 [4]
⏷ Show the Full List of 23  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000685 Cobicistat Cobicistat metabolite M3 Unclear CYP3A4 ... [4]
MR000686 Cobicistat Cobicistat metabolite M9 Unclear CYP3A4 ... [4]
MR000687 Cobicistat Cobicistat metabolite M2 Unclear CYP3A4 ... [4]
MR000688 Cobicistat Cobicistat metabolite M10 Unclear Unclear [4]
MR000689 Cobicistat Cobicistat metabolite M1 Unclear CYP3A4 ... [4]
MR000690 Cobicistat Cobicistat metabolite M9-1 Unclear Unclear [4]
MR000691 Cobicistat Cobicistat metabolite M2-1 Unclear Unclear [4]
MR000692 Cobicistat Cobicistat metabolite M2-2 Unclear Unclear [4]
MR000693 Cobicistat Cobicistat metabolite M11 Unclear Unclear [4]
MR000694 Cobicistat Cobicistat metabolite M18 Unclear CYP3A4 ... [4]
MR000695 Cobicistat Cobicistat metabolite M19 Unclear Unclear [4]
MR000696 Cobicistat Cobicistat metabolite M17 Unclear Unclear [4]
MR000679 Cobicistat metabolite M1 Cobicistat metabolite M20 Unclear Unclear [4]
MR000680 Cobicistat metabolite M1 Cobicistat metabolite M6 Unclear Unclear [4]
MR000681 Cobicistat metabolite M1 Cobicistat metabolite M12 Unclear Unclear [4]
MR000682 Cobicistat metabolite M1 Cobicistat metabolite M13 Unclear Unclear [4]
MR000683 Cobicistat metabolite M1 Cobicistat metabolite 14 Unclear Unclear [4]
MR000684 Cobicistat metabolite M1 Cobicistat metabolite M8 Unclear Unclear [4]
MR000678 Cobicistat metabolite M10 Cobicistat metabolite M20 Unclear Unclear [4]
MR000676 Cobicistat metabolite M2 Cobicistat metabolite M16 Unclear Unclear [4]
MR000677 Cobicistat metabolite M2 Cobicistat metabolite M4 Unclear CYP3A4 ... [4]
MR000671 Cobicistat metabolite M3 Cobicistat metabolite M7 Unclear Unclear [4]
MR000672 Cobicistat metabolite M3 Cobicistat metabolite M15 Unclear Unclear [4]
MR000674 Cobicistat metabolite M9 Cobicistat metabolite M15 Unclear Unclear [4]
MR000675 Cobicistat metabolite M9 Cobicistat metabolite M16 Unclear Unclear [4]
MR000673 Cobicistat metabolite M7 Cobicistat metabolite M15 Unclear Unclear [4]
⏷ Show the Full List of 26 MR(s)
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
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[3]
References
1 Tenofovir Disoproxil Fumarate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Cobicistat versus ritonavir boosting and differences in the drug-drug interaction profiles with co-medications. J Antimicrob Chemother. 2016 Jul;71(7):1755-8.
3 Pharmacokinetics and pharmacodynamics of GS-9350: a novel pharmacokinetic enhancer without anti-HIV activity. Clin Pharmacol Ther. 2010 Mar;87(3):322-9.
4 Biotransformation of cobicistat: metabolic pathways and enzymes. Drug Metab Lett. 2016;10(2):111-23.

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