Details of the Drug

General Information of Drug (ID: DMO91EH)

• Drug Name: 4,5,6,7-tetrahydroisoxazolo-[5,4-c]-pyridin-3-ol
• Synonyms: THIP hydrochloride; GABOXADOL HYDROCHLORIDE; 85118-33-8; UNII-478RVH3TVD; 478RVH3TVD; 4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-ol hydrochloride; 4,5,6,7-TETRAHYDROISOXAZOLO[5,4-C]PYRIDIN-3-OL HCL, GABOXADOL-HCL; SR-01000075651; EINECS 285-687-7; THIP NIEaNI; THIP HCl; AC1NWAX4; Gaboxadol (hydrochloride); MLS002154080; SPECTRUM1503648; CHEMBL1255746; CTK8G3449; DTXSID90234251; AOB5024; MolPort-006-141-665; MolPort-003-666-496; HMS1571C05; Pharmakon1600-01503648; BCP16610; Tox21_501233; BN0520; NSC759585; CCG-39368

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 176.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 0
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C6H9ClN2O2
  IUPAC Name: 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
  Canonical SMILES: C1CNCC2=C1C(=O)NO2.Cl
  InChI: InChI=1S/C6H8N2O2.ClH/c9-6-4-1-2-7-3-5(4)10-8-6;/h7H,1-3H2,(H,8,9);1H
  InChIKey: ZDZDSZQYRBZPNN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5702253
  CAS Number: 85118-33-8
  TTD ID: D00XNY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Agonist	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate receptor AMPA (GRIA)	DTT	NO-GeName	1.79E-04	-0.69	-0.58

References

• [1] Reduction in potency of selective gamma-aminobutyric acidA agonists and diazepam in CA1 region of in vitro hippocampal slices from chronic flurazepam-treated rats. J Pharmacol Exp Ther. 1992 Jul;262(1):204-11.