Details of the Drug

General Information of Drug (ID: DMNOJGW)

Drug Name
PMID26413912-Compound-84
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 379.31
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C17H15F2N3O5
IUPAC Name
3-[4-amino-3-(2-methoxyethoxy)phenyl]-5-(2,4-difluorophenoxy)-1,3,4-oxadiazol-2-one
Canonical SMILES
COCCOC1=C(C=CC(=C1)N2C(=O)OC(=N2)OC3=C(C=C(C=C3)F)F)N
InChI
InChI=1S/C17H15F2N3O5/c1-24-6-7-25-15-9-11(3-4-13(15)20)22-17(23)27-16(21-22)26-14-5-2-10(18)8-12(14)19/h2-5,8-9H,6-7,20H2,1H3
InChIKey
AYJCMQZJZQQNKN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
91008342
TTD ID
D0B7CW

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]
Fatty-acid amide hydrolase 1 (FAAH1) TTGX13H FAAH1_HUMAN 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.