Details of the Drug

General Information of Drug (ID: DMSLPGZ)

Drug Name

3-Isopropyl-3-methyl-dihydro-furan-2-one

Synonyms

132462-11-4; alpha-Imgbl; 2(3H)-Furanone, dihydro-3-methyl-3-(1-methylethyl)-; 3-methyl-3-propan-2-yloxolan-2-one; alpha-Isopropyl-alpha-methyl-gamma-butyrolactone; AC1L2ZBI; CHEMBL35007; SCHEMBL10171772

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)

142.2

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C8H14O2
IUPAC Name: 3-methyl-3-propan-2-yloxolan-2-one
Canonical SMILES: CC(C)C1(CCOC1=O)C
InChI: InChI=1S/C8H14O2/c1-6(2)8(3)4-5-10-7(8)9/h6H,4-5H2,1-3H3
InChIKey: NUQBWYMPMSPNQT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 131516
CAS Number: 132462-11-4
TTD ID: D02RUV

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 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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Alpha-spirocyclopentyl- and alpha-spirocyclopropyl-gamma-butyrolactones: conformationally constrained derivatives of anticonvulsant and convulsant ... J Med Chem. 1994 Jan 21;37(2):275-86.