Details of the Drug

General Information of Drug (ID: DM62PAU)

Drug Name
7-phenyl-1-(4-phenyloxazol-2-yl)heptan-1-one
Synonyms CHEMBL460316; 7-phenyl-1-(4-phenyloxazol-2-yl)heptan-1-one; SCHEMBL2162579
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): 1 Molecular Weight (mw) 333.4
Logarithm of the Partition Coefficient (xlogp) 5.9
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H23NO2
IUPAC Name
7-phenyl-1-(4-phenyl-1,3-oxazol-2-yl)heptan-1-one
Canonical SMILES
C1=CC=C(C=C1)CCCCCCC(=O)C2=NC(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C22H23NO2/c24-21(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-20(17-25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2
InChIKey
XOLGPHAVLXMSGU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44554614
TTD ID
D0PN9S

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 Exploration of a fundamental substituent effect of alpha-ketoheterocycle enzyme inhibitors: Potent and selective inhibitors of fatty acid amide hyd... Bioorg Med Chem Lett. 2008 Nov 15;18(22):5842-6.