Details of the Drug

General Information of Drug (ID: DM0J9I5)

Drug Name
Cyclopentyl(5-(pyridin-2-yl)oxazol-2-yl)methanone
Synonyms alpha-ketooxazole, 14e; cyclopentyl(5-(pyridin-2-yl)oxazol-2-yl)methanone; SCHEMBL711639; CHEMBL376397; BDBM23134; CZXHLRXAHDZQJF-UHFFFAOYSA-N
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) 242.27
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H14N2O2
IUPAC Name
cyclopentyl-(5-pyridin-2-yl-1,3-oxazol-2-yl)methanone
Canonical SMILES
C1CCC(C1)C(=O)C2=NC=C(O2)C3=CC=CC=N3
InChI
InChI=1S/C14H14N2O2/c17-13(10-5-1-2-6-10)14-16-9-12(18-14)11-7-3-4-8-15-11/h3-4,7-10H,1-2,5-6H2
InChIKey
CZXHLRXAHDZQJF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16737623
TTD ID
D0N8RT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Structure-activity relationships of alpha-ketooxazole inhibitors of fatty acid amide hydrolase. J Med Chem. 2007 Jul 12;50(14):3359-68.