Details of the Drug

General Information of Drug (ID: DMI53FU)

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

Disease Entry	ICD 11	Status	REF
Insomnia	7A00-7A0Z	Approved	[1]
------------------------------------------------------------------------------------

Therapeutic Class

Hypnotics and Sedatives

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

140.14

Logarithm of the Partition Coefficient (xlogp)

-0.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H8N2O2
IUPAC Name: 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
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

Cross-matching ID

PubChem CID: 3448
ChEBI ID: CHEBI:34373
CAS Number: 64603-91-4
DrugBank ID: DB06554
TTD ID: D00EEL
VARIDT ID: DR00004

Combinatorial Drugs (CBD)

Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor delta (GABRD)	TTGXH6N	GBRD_HUMAN	Modulator	[2]

------------------------------------------------------------------------------------

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Proton-coupled amino acid transporter 1 (SLC36A1)	DT48WEM	S36A1_HUMAN	Substrate	[3]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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	Gaboxadol--a new awakening in sleep.Curr Opin Pharmacol.2006 Feb;6(1):30-6.
3	Intestinal gaboxadol absorption via PAT1 (SLC36A1): modified absorption in vivo following co-administration of L-tryptophan. Br J Pharmacol. 2009 Aug;157(8):1380-9.