Details of the Drug

General Information of Drug (ID: DMOIFAP)

Drug Name
6,6-Dimethyl-2-oxa-spiro[4.4]nonan-1-one
Synonyms 2-Oxaspiro[4.4]nonan-1-one, 6,6-dimethyl-; CHEMBL94885; 153579-89-6
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) 168.23
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H16O2
IUPAC Name
9,9-dimethyl-2-oxaspiro[4.4]nonan-1-one
Canonical SMILES
CC1(CCCC12CCOC2=O)C
InChI
InChI=1S/C10H16O2/c1-9(2)4-3-5-10(9)6-7-12-8(10)11/h3-7H2,1-2H3
InChIKey
FHWLTPUPKBUBCF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10352086
TTD ID
D0U9ET

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]
Molecular Interaction Atlas (MIA) 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.