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

General Information of Drug (ID: DR2422)
Drug Name
Azetirelin
Synonyms Azetirelin; YM-14673 (dihydrate); Nalpha-[(S)-2-Azetidinone-4-carbonyl]-L-histidyl-L-prolinamide
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 348.36 Topological Polar Surface Area 150
Heavy Atom Count 25 Rotatable Bond Count 6
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
65841
CAS Number
95729-65-0
TTD Drug ID
D02QBT
Formula
C15H20N6O4
Canonical SMILES
C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CC(=O)N3)C(=O)N
InChI
1S/C15H20N6O4/c16-13(23)11-2-1-3-21(11)15(25)10(4-8-6-17-7-18-8)20-14(24)9-5-12(22)19-9/h6-7,9-11H,1-5H2,(H2,16,23)(H,17,18)(H,19,22)(H,20,24)/t9-,10-,11-/m0/s1
InChIKey
WBGUMUGCONUXFK-DCAQKATOSA-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. Hydrolysis - Hydrolysis 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007497 Azetirelin Unclear Hydrolysis - Hydrolysis Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Tripeptidase (pepT) DME1008 Lactococcus lactis
PEPT_LACLL
3.4.11.4
[2] , [3]
References
1 PubChem 2019 update: improved access to chemical data. Nucleic Acids Res. 2019 Jan 8; 47(D1):D1102-1109. (PubChem CID: 65841)
2 Metabolism of azetirelin, a new thyrotropin-releasing hormone (TRH) analogue, by intestinal microorganisms. Pharm Res. 1997 Aug;14(8):1004-7.
3 Intestinal absorption of azetirelin, a new thyrotropin-releasing hormone (TRH) analogue. I. Possible factors for the low oral bioavailability in rats. Biol Pharm Bull. 1994 Sep;17(9):1256-61.

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