Details of the Drug

General Information of Drug (ID: DMRITHA)

Drug Name
1-(5-phenyloxazol-2-yl)octadec-9-en-1-one
Synonyms
CHEMBL426410; 2-Oleoyl-5-phenyloxazole; 1-(5-phenyloxazol-2-yl)octadec-9-en-1-one; SCHEMBL3205790; BDBM50161521; AKOS030561892; 1-(5-Phenyl-oxazol-2-yl)-nonadec-10-en-2-one; (Z)-1-(5-phenyloxazol-2-yl)octadec-9-en-1-one
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): 2 Molecular Weight (mw) 409.6
Logarithm of the Partition Coefficient (xlogp) 9.5
Rotatable Bond Count (rotbonds) 17
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C27H39NO2
IUPAC Name
(Z)-1-(5-phenyl-1,3-oxazol-2-yl)octadec-9-en-1-one
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)C1=NC=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(29)27-28-23-26(30-27)24-20-17-16-18-21-24/h9-10,16-18,20-21,23H,2-8,11-15,19,22H2,1H3/b10-9-
InChIKey
JBJNKCWDUQMEEA-KTKRTIGZSA-N
Cross-matching ID
PubChem CID
11154099
CAS Number
681135-40-0
TTD ID
D0M8AR

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 Optimization of the central heterocycle of alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Aug 14;51(15):4392-403.