General Information of Drug (ID: DM9XPUN)

Drug Name
Furan-2-ylmethylcarbamic Acid Biphenyl-3-yl Ester
Synonyms CHEMBL449538; Furan-2-ylmethylcarbamic 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): 0 Molecular Weight (mw) 293.3
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H15NO3
IUPAC Name
(3-phenylphenyl) N-(furan-2-ylmethyl)carbamate
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)OC(=O)NCC3=CC=CO3
InChI
InChI=1S/C18H15NO3/c20-18(19-13-17-10-5-11-21-17)22-16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-12H,13H2,(H,19,20)
InChIKey
OLMUNVAXPITDSI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24881738
TTD ID
D0Z1ID

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.