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

General Information of Drug (ID: DR2128)
Drug Name
KPS-0373
Synonyms
Lopremone; Protirelin tartrate; Protirelina; Rifathyroin; Synthetic TRH; Synthetic tsh-releasing factor; Synthetic tsh-releasing hormone; THYREL TRH; TSH-releasing factor; TSH-releasing hormone; Thypinone; Thyroliberin; Thyrotropic releasing hormone; Thyrotropic-releasing factor; Thyrotropin-releasing factor; Thyrotropin-releasing hormone; protirelin; 24305-27-9; 5-Oxo-L-prolyl-L-histidyl-L-prolinamide; 5Y5F15120W; ABBOTT-38579; Abbott 38579; C16H22N6O4; CHEBI:35940; L-Pyroglutamyl-L-histidyl-L-prolineamide; TRH; UNII-5Y5F15120W
Indication Hypothyroidism [ICD11: 5A00] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 362.38 Topological Polar Surface Area 150
Heavy Atom Count 26 Rotatable Bond Count 6
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
638678
ChEBI ID
CHEBI:35940
CAS Number
24305-27-9
TTD Drug ID
D08BTB
Formula
C16H22N6O4
Canonical SMILES
C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N
InChI
1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
InChIKey
XNSAINXGIQZQOO-SRVKXCTJSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
KPS-0373 M1 PDM007462
14671596
Hydrolysis - Hydrolysis of cyclic secondary carboxamide 1 Human
KPS-0373 M2 PDM007463 N. A. Conjugation - N-Glucuronidation of amide 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Pyrrolidone-carboxylate peptidase (PGPI) DME0549 Homo sapiens
PGPI_HUMAN
3.4.19.3
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Pyrrolidone-carboxylate peptidase (PGPI) DME0549 Km = 0.046 microM
PGPI_HUMAN
[2]
References
1 ClinicalTrials.gov (NCT00054756) Study of Thyrotropin-Releasing Hormone in Normal Volunteers and in Patients With Thyroid or Pituitary Abnormalities.
2 Marginal involvement of pyroglutamyl aminopeptidase I in metabolism of thyrotropin-releasing hormone in rat brain. Biol Pharm Bull. 2004 Aug;27(8):1197-201.

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