General Information of Drug (ID: DMLR8MS)

Drug Name
Isoxazoline derivative 1
Synonyms PMID26413912-Compound-85
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 256.1
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H10BrNO2
IUPAC Name
(5R)-3-bromo-5-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
Canonical SMILES
COC1=CC=CC(=C1)[C@H]2CC(=NO2)Br
InChI
InChI=1S/C10H10BrNO2/c1-13-8-4-2-3-7(5-8)9-6-10(11)12-14-9/h2-5,9H,6H2,1H3/t9-/m1/s1
InChIKey
IWLKUWXPADWQAT-SECBINFHSA-N
Cross-matching ID
PubChem CID
58126505
TTD ID
D0R3JK

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.