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

General Information of Drug (ID: DR0071)
Drug Name
Alogliptin
Synonyms
Alogliptin; Alogliptin (SYR-322); Alogliptin [INN]; JHC049LO86; alogliptina; alogliptine; alogliptinum; vipidia; (R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile; 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile; 2-({6-[(3r)-3-Aminopiperidin-1-Yl]-3-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl}methyl)benzonitrile; 850649-61-5; AK322010; CHEBI:72323; HSDB 8203; UNII-JHC049LO86
Indication Diabetes mellitus [ICD11: 5A10] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 339.4 Topological Polar Surface Area 93.7
Heavy Atom Count 25 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
11450633
PubChem SID
16549582 ; 23591487 ; 42529629 ; 46516529 ; 57376680 ; 79634689 ; 87544227 ; 93300285 ; 103516453 ; 126665588 ; 134339050 ; 135207592 ; 137147468 ; 140812881 ; 160962873 ; 162009811 ; 162253849 ; 164193948 ; 164835224 ; 175265639 ; 175427056 ; 178102937 ; 185988964 ; 210279140 ; 210281462 ; 223574691 ; 223683116 ; 224085697 ; 226492557 ; 241154940 ; 244648029 ; 249810610 ; 251971115 ; 252214702 ; 252553765 ; 252671739
ChEBI ID
CHEBI:72323
CAS Number
850649-61-5
TTD Drug ID
D0NJ5H
Formula
C18H21N5O2
Canonical SMILES
CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N
InChI
1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
InChIKey
ZSBOMTDTBDDKMP-OAHLLOKOSA-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
Alogliptin M1 DM000062
138454990
Oxidation - N-Demethylation 1 [2]
Alogliptin M2 DM000063
11278798
Oxidation - Deamination 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000157 Alogliptin Alogliptin M1 Oxidation - N-Demethylation NAT1 ... [2]
MR000158 Alogliptin Alogliptin M2 Oxidation - Deamination CYP3A4 ... [2]
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]
N-acetyltransferase 1 (NAT1) DME0050 Homo sapiens
ARY1_HUMAN
2.3.1.5
[3]
N-acetyltransferase 2 (NAT2) DME0051 Homo sapiens
ARY2_HUMAN
2.3.1.5
[3]
References
1 Saxagliptin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 An update on the clinical pharmacology of the dipeptidyl peptidase 4 inhibitor alogliptin used for the treatment of type 2 diabetes mellitus. Clin Exp Pharmacol Physiol. 2015 Dec;42(12):1225-38.
3 An update on the clinical pharmacology of the dipeptidyl peptidase 4 inhibitor alogliptin used for the treatment of type 2 diabetes mellitus Clin Exp Pharmacol Physiol. 2015 Dec;42(12):1225-38. doi: 10.1111/1440-1681.12469.

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