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

General Information of Drug (ID: DR1809)
Drug Name
MP-513
Synonyms
Teneligliptin; Teneligliptin (INN); MP-513; SCHEMBL161778; Teneli; Teneligliptin [INN]; Teneligliptin hydrobromide; WGRQANOPCQRCME-PMACEKPBSA-N; ZINC36520254; 28ZHI4CF9C; 760937-92-6; 906093-29-6; C22H30N6OS; CHEBI:136042; CHEMBL2147777; DTXSID30997419; GTPL9906; MFCD13195565; MP513; UNII-28ZHI4CF9C; [(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone; {(2s,4s)-4-[4-(3-Methyl-1-Phenyl-1h-Pyrazol-5-Yl)piperazin-1-Yl]pyrrolidin-2-Yl}(1,3-Thiazolidin-3-Yl)methanone
Indication Diabetes mellitus [ICD11: 5A10] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 426.6 Topological Polar Surface Area 81.9
Heavy Atom Count 30 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
11949652
PubChem SID
17390993 ; 24477456 ; 35020542 ; 80852136 ; 96025300 ; 126671556 ; 135262329 ; 137179501 ; 137460776 ; 152136343 ; 152258607 ; 160647441 ; 163319882 ; 163340589 ; 185970860 ; 198988098 ; 223680878 ; 224304487 ; 226524787 ; 242679293 ; 251971018 ; 252216392 ; 252439082 ; 252481245
ChEBI ID
CHEBI:136042
CAS Number
760937-92-6
TTD Drug ID
D07EPV
Formula
C22H30N6OS
Canonical SMILES
CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5
InChI
1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
InChIKey
WGRQANOPCQRCME-PMACEKPBSA-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
MP-513 Metabolite M1 DM003518 N. A. Oxidation - Thiazolidine-1-oxidation 1 [2] , [3]
MP-513 Metabolite M3 DM003522 N. A. Hydrolysis - Hydrolysis 1 [2]
MP-513 Metabolite M4 DM003521 N. A. Oxidation - Oxidationn 1 [2]
MP-513 Metabolite M5 DM003520 N. A. Oxidation - Hydrolyzationn 1 [2]
MP-513 Metabolite M2 DM003519 N. A. Oxidation - Thiazolidine-1,1-oxidation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012777 MP-513 MP-513 Metabolite M1 Oxidation - Thiazolidine-1-oxidation CYP3A4 ... [2], [3]
MR012779 MP-513 MP-513 Metabolite M5 Oxidation - Hydrolyzationn Unclear [2]
MR012780 MP-513 MP-513 Metabolite M4 Oxidation - Oxidationn CYP2D6 [2]
MR012781 MP-513 MP-513 Metabolite M3 Hydrolysis - Hydrolysis CYP3A4 [2]
MR012778 MP-513 Metabolite M1 MP-513 Metabolite M2 Oxidation - Thiazolidine-1,1-oxidation Unclear [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] , [3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
Dimethylaniline oxidase 1 (FMO1) DME0059 Homo sapiens
FMO1_HUMAN
1.14.13.8
[2] , [3]
Dimethylaniline oxidase 3 (FMO3) DME0039 Homo sapiens
FMO3_HUMAN
1.14.13.8
[2] , [3]
References
1 ClinicalTrials.gov (NCT02449330) Teneligliptin on the Progressive Left Ventricular Diastolic Dysfunction With Type 2 Diabetes Mellitus Study.
2 Metabolism and disposition of the dipeptidyl peptidase IV inhibitor teneligliptin in humans
3 Development of a liquid chromatography/tandem-mass spectrometry assay for the simultaneous determination of teneligliptin and its active metabolite teneligliptin sulfoxide in human plasma
4 Effect of glimepiride on the pharmacokinetics of teneligliptin in healthy Korean subjects. J Clin Pharm Ther. 2019 Oct;44(5):720-725.

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