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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL285783
TTD ID
D0S5PS
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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 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]
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References

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