Details of the Drug

General Information of Drug (ID: DML27CG)

Drug Name
N-Hexylcarbamic Acid Biphenyl-3-yl Ester
Synonyms CHEMBL488348; n-Hexylcarbamic Acid Biphenyl-3-yl Ester
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) 297.4
Logarithm of the Partition Coefficient (xlogp) 5.5
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H23NO2
IUPAC Name
(3-phenylphenyl) N-hexylcarbamate
Canonical SMILES
CCCCCCNC(=O)OC1=CC=CC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-2-3-4-8-14-20-19(21)22-18-13-9-12-17(15-18)16-10-6-5-7-11-16/h5-7,9-13,15H,2-4,8,14H2,1H3,(H,20,21)
InChIKey
QPTMPZNXKZNQMF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24881671
TTD ID
D0D4IJ

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 Synthesis and quantitative structure-activity relationship of fatty acid amide hydrolase inhibitors: modulation at the N-portion of biphenyl-3-yl a... J Med Chem. 2008 Jun 26;51(12):3487-98.