Details of the Drug

General Information of Drug (ID: DMRS6LH)

Drug Name
2-Cyclopropanecarbonyl-cyclohexane-1,3-dione
Synonyms CHEMBL355709; 288258-62-8; 2-Cyclopropanecarbonyl-cyclohexane-1,3-dione; 1,3-Cyclohexanedione, 2-(cyclopropylcarbonyl)-; SCHEMBL10192859; BDBM50088792; 2-cyclopropanecarbonylcyclohexane-1,3-dione
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) 180.2
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H12O3
IUPAC Name
2-(cyclopropanecarbonyl)cyclohexane-1,3-dione
Canonical SMILES
C1CC(=O)C(C(=O)C1)C(=O)C2CC2
InChI
InChI=1S/C10H12O3/c11-7-2-1-3-8(12)9(7)10(13)6-4-5-6/h6,9H,1-5H2
InChIKey
DYVQTUZCXQZYGL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44380695
TTD ID
D0Q7OY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hydroxyphenylpyruvate dioxygenase (HPD) TT8DSFC HPPD_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 SAR studies of 2-o-substituted-benzoyl- and 2-alkanoyl-cyclohexane-1,3-diones as inhibitors of 4-hydroxyphenylpyruvate dioxygenase. Bioorg Med Chem Lett. 2000 May 1;10(9):843-5.