General Information of Drug (ID: DMBVDHK)

Drug Name
Isoxazoline derivative 3
Synonyms PMID26413912-Compound-87
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 356.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H16N2O3
IUPAC Name
4-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]benzonitrile
Canonical SMILES
C1[C@@H](ON=C1OC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C22H16N2O3/c23-15-16-6-10-20(11-7-16)26-22-14-21(27-24-22)17-8-12-19(13-9-17)25-18-4-2-1-3-5-18/h1-13,21H,14H2/t21-/m1/s1
InChIKey
QRYXBMPYZGEVSA-OAQYLSRUSA-N
Cross-matching ID
PubChem CID
88979391
TTD ID
D0X8VL

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

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 Fatty acid amide hydrolase inhibitors: a patent review (2009-2014).Expert Opin Ther Pat. 2015;25(11):1247-66.