Details of the Drug

General Information of Drug (ID: DM0ZA7T)

Drug Name

4-Methyl-5-piperidin-4-yl-isoxazol-3-ol

Synonyms

CHEMBL144416; CHEMBL553129; 439944-42-0; 3(2H)-Isoxazolone, 4-methyl-5-(4-piperidinyl)-; BDBM50113803; BDBM50020029; AKOS022705739; 4-Methyl-5-(4-piperidinyl)isoxazole-3-ol; 4-Methyl-5-piperidin-4-yl-isoxazol-3-ol

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

182.22

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H14N2O2
IUPAC Name: 4-methyl-5-piperidin-4-yl-1,2-oxazol-3-one
Canonical SMILES: CC1=C(ONC1=O)C2CCNCC2
InChI: InChI=1S/C9H14N2O2/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)
InChIKey: PACUXLHRGQUIQZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10797510
TTD ID: D09EVY

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.