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]
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Therapeutic Class

Hypnotics and Sedatives

Affected Organisms

Humans and other mammals

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
UNII: K1M5RVL18S
DrugBank ID: DB06554
TTD ID: D00EEL
VARIDT ID: DR00004

Combinatorial Drugs (CBD)

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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]

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Drug Transporter (DTP)

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

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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.