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

General Information of Drug (ID: DR1591)
Drug Name
Ticagrelor
Synonyms
Ticagrelor; Brilinta; Brilique; GLH0314RVC; (1S,2S,3R,5S)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol; (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPYL]AMINO]-5-(PROPYLTHIO)-3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-3-YL]-5-(2-HYDROXYETHOXY)-1,2-CYCLOPENTANEDIOL; 274693-27-5; AZD 6140; AZD-6140; AZD6140; CHEBI:68558; AR-C 126532XX; AR-C126532XX; UNII-GLH0314RVC; [14C]-Ticagrelor
Indication Cerebral stroke [ICD11: 8B11] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 522.6 Topological Polar Surface Area 164
Heavy Atom Count 36 Rotatable Bond Count 10
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
9871419
PubChem SID
14836432 ; 14860737 ; 24162024 ; 45293678 ; 49684205 ; 57373617 ; 77877844 ; 92729712 ; 96025700 ; 103554312 ; 123051091 ; 124759706 ; 126644885 ; 126666051 ; 135649975 ; 136345665 ; 137171656 ; 139857160 ; 152040158 ; 152258075 ; 160645837 ; 160646914 ; 162011636 ; 163346229 ; 163383616 ; 164178089 ; 164765598 ; 165245536 ; 170501033 ; 171063069 ; 172914585 ; 174528632 ; 175267325 ; 175427101 ; 185974765 ; 189657701 ; 198993342 ; 211534943 ; 223384813 ; 223666650 ; 224638556 ; 228139491 ; 247988848 ; 249582784 ; 249807649 ; 249807650 ; 249816423 ; 251966736 ; 251970939 ; 252216468
ChEBI ID
CHEBI:68558
CAS Number
274693-27-5
TTD Drug ID
D0WF7L
Formula
C23H28F2N6O4S
Canonical SMILES
CCCSC1=NC(=C2C(=N1)N(N=N2)C3CC(C(C3O)O)OCCO)NC4CC4C5=CC(=C(C=C5)F)F
InChI
1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
InChIKey
OEKWJQXRCDYSHL-FNOIDJSQSA-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
AR-C124910XX DM004628
49846084
Unclear 1 [2] , [3]
AR-C133913XX DM004631
78358176
Unclear 1 [2]
Ticagrelor Metabolite M10 DM004635 N. A. Unclear 1 [2]
Ticagrelor Metabolite M9 DM004636 N. A. Unclear 1 [2]
Ticagrelor Metabolite M2 DM004632 N. A. Unclear 2 [2]
Ticagrelor Metabolite M3 DM004633 N. A. Unclear 2 [2]
Ticagrelor Metabolite M4 DM004634 N. A. Unclear 2 [2]
Ticagrelor Metabolite M6 DM004629 N. A. Unclear 2 [2]
Ticagrelor Metabolite M7 DM004630 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004973 Ticagrelor AR-C124910XX Unclear CYP3A4 ... [2], [3]
MR004976 Ticagrelor AR-C133913XX Unclear Unclear [2]
MR004980 Ticagrelor Ticagrelor Metabolite M10 Unclear Unclear [2]
MR004981 Ticagrelor Ticagrelor Metabolite M9 Unclear Unclear [2]
MR004974 AR-C124910XX Ticagrelor Metabolite M6 Unclear Unclear [2]
MR004975 AR-C124910XX Ticagrelor Metabolite M7 Unclear Unclear [2]
MR004977 AR-C133913XX Ticagrelor Metabolite M2 Unclear Unclear [2]
MR004978 AR-C133913XX Ticagrelor Metabolite M3 Unclear Unclear [2]
MR004979 AR-C133913XX Ticagrelor Metabolite M4 Unclear Unclear [2]
⏷ Show the Full List of 9 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
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
[2] , [3]
References
1 Ticagrelor was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Absorption, distribution, metabolism, and excretion of ticagrelor in healthy subjects. Drug Metab Dispos. 2010 Sep;38(9):1514-21.
3 Metabolism of ticagrelor in patients with acute coronary syndromes

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