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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.