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

General Information of Drug (ID: DR5295)
Drug Name
Gaboxadol
Synonyms
Gaboxadolum; Gaboxadolum [Latin]; LU 2030; Gaboxadol [USAN:INN]; Lu 02-030; MK-0928; Gaboxadol (USAN/INN); LU-2-030; Lu-02-030; Isoxazolo(5,4-c)pyridin-3(2H)-one, 4,5,6,7-tetrahydro-, hydrate; 4,5,6,7-Tetrahydroisoxazole(5,4-c)pyridin-3-ol; 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
Indication Insomnia [ICD11: 7A00-7A0Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 140.14 Topological Polar Surface Area 50.4
Heavy Atom Count 10 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3448
ChEBI ID
CHEBI:34373
CAS Number
64603-91-4
TTD Drug ID
D00EEL
Formula
C6H8N2O2
Canonical SMILES
C1CNCC2=C1C(=O)NO2
InChI
InChI=1S/C6H8N2O2/c9-6-4-1-2-7-3-5(4)10-8-6/h7H,1-3H2,(H,8,9)
InChIKey
ZXRVKCBLGJOCEE-UHFFFAOYSA-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
Gaboxadol-O-glucuronide DM018779 N. A. Conjugation - O-glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011092 Gaboxadol Gaboxadol-O-glucuronide Conjugation - O-glucuronidation UGT1A9 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A6 (UGT1A6) DME0072 Homo sapiens
UD16_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A7 (UGT1A7) DME0065 Homo sapiens
UD17_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A8 (UGT1A8) DME0064 Homo sapiens
UD18_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4322).
2 Metabolism and renal elimination of gaboxadol in humans: role of UDP-glucuronosyltransferases and transporters

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