Details of the Drug

General Information of Drug (ID: DMYO2GP)

Drug Name
4-Ethyl-5-piperidin-4-yl-isoxazol-3-ol
Synonyms
CHEMBL143993; 439944-80-6; 3(2H)-Isoxazolone, 4-ethyl-5-(4-piperidinyl)-; CHEMBL543365; 4-ethyl-5-piperidin-4-yl-isoxazol-3-ol; CTK1C8002; DTXSID50445689; BDBM50113809; AKOS030538897; AKOS015904779; 4-ethyl-5-(4-piperidinyl)-3-isoxazolol; 4-Ethyl-5-(4-piperidinyl)isoxazole-3-ol; I14-23452; 4-Ethyl-5-piperidin-4-yl-isoxazol-3-ol
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) 196.25
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H16N2O2
IUPAC Name
4-ethyl-5-piperidin-4-yl-1,2-oxazol-3-one
Canonical SMILES
CCC1=C(ONC1=O)C2CCNCC2
InChI
InChI=1S/C10H16N2O2/c1-2-8-9(14-12-10(8)13)7-3-5-11-6-4-7/h7,11H,2-6H2,1H3,(H,12,13)
InChIKey
NKLHMQIBLBZVKZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10845560
CAS Number
439944-80-6
TTD ID
D0J5TL
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 A novel class of potent 3-isoxazolol GABA(A) antagonists: design, synthesis, and pharmacology. J Med Chem. 2000 Dec 28;43(26):4930-3.