Details of the Drug

General Information of Drug (ID: DMZK8V5)

Drug Name

5-Aminomethyl-4,5-dihydro-isoxazol-3-ol

Synonyms

Dihydromuscimol; 72241-46-4; CHEMBL40363; (RS)-4,5-Dihydromuscimol; 5-(aminomethyl)-1,2-oxazolidin-3-one; 3-isoxazolol, 5-(aminomethyl)-4,5-dihydro-; AC1L4Y9G; SCHEMBL2924224; AC1Q6H18; SCHEMBL12477033; CTK5D5767; 5-aminomethyl-isoxazolidin-3-one; ZHCZZTNIHDWRNS-UHFFFAOYSA-N; 5-(Aminomethyl)-3-isoxazolidinone; 3-Isoxazolidinone,5-(aminomethyl)-; BDBM50225363; 3-Isoxazolidinone, 5-(aminomethyl)-

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)

116.12

Logarithm of the Partition Coefficient (xlogp)

-1.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C4H8N2O2
IUPAC Name: (5S)-5-(aminomethyl)-1,2-oxazolidin-3-one
Canonical SMILES: C1[C@H](ONC1=O)CN
InChI: InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChIKey: ZHCZZTNIHDWRNS-VKHMYHEASA-N

Cross-matching ID

PubChem CID: 14601455
TTD ID: D0E1DB

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	GABA agonists. Resolution, absolute stereochemistry, and enantioselectivity of (S)-(+)- and (R)-(-)-dihydromuscimol. J Med Chem. 1985 Nov;28(11):1612-7.