Details of the Drug

General Information of Drug (ID: DMYAPLT)

• Drug Name: 5-[(1S)-1-ammonioethyl]isoxazol-3-olate
• Synonyms: CHEMBL285783; 5-[(S)-1-Aminoethyl]isoxazol-3-ol; AKOS022719281

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 128.13
  Logarithm of the Partition Coefficient (xlogp); -1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C5H8N2O2
  IUPAC Name: 5-[(1S)-1-aminoethyl]-1,2-oxazol-3-one
  Canonical SMILES: C[C@@H](C1=CC(=O)NO1)N
  InChI: InChI=1S/C5H8N2O2/c1-3(6)4-2-5(8)7-9-4/h2-3H,6H2,1H3,(H,7,8)/t3-/m0/s1
  InChIKey: ICRYUJPBYIPXQF-VKHMYHEASA-N
• Cross-matching ID:
  PubChem CID: 44279120
  TTD ID: D0S5PS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
GABA(A) receptor alpha-1 (GABRA1)	TT1MPAY	GBRA1_HUMAN	Inhibitor	[1]
GABA(A) receptor alpha-2 (GABRA2)	TTBMV1G	GBRA2_HUMAN	Inhibitor	[1]
GABA(A) receptor alpha-3 (GABRA3)	TT37EDJ	GBRA3_HUMAN	Inhibitor	[1]
GABA(A) receptor alpha-5 (GABRA5)	TTNZPQ1	GBRA5_HUMAN	Inhibitor	[1]
GABA(A) receptor beta-2 (GABRB2)	TTZA1NY	GBRB2_HUMAN	Inhibitor	[1]
GABA(A) receptor gamma-2 (GABRG2)	TT06RH5	GBRG2_HUMAN	Inhibitor	[1]
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

References

• [1] gamma-Aminobutyric acid agonists, antagonists, and uptake inhibitors. Design and therapeutic aspects. J Med Chem. 1981 Dec;24(12):1377-83.