Details of the Drug

General Information of Drug (ID: DM530OW)

Drug Name
3'-carbamoylbiphenyl-3-yl 6-phenylhexylcarbamate
Synonyms
CHEMBL451909; 887264-44-0; C26H28N2O3; JP83; MolPort-009-019-196; HMS3650I04; BDBM50275301; 1384AH; ZINC27646193; AKOS027282688; 3'-Carbamoyl-biphenyl-3-yl-hexylphenylcarbamate; SR-01000946289; 3''-carbamoylbiphenyl-3-yl 6-phenylhexylcarbamate
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): 2 Molecular Weight (mw) 416.5
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C26H28N2O3
IUPAC Name
[3-(3-carbamoylphenyl)phenyl] N-(6-phenylhexyl)carbamate
Canonical SMILES
C1=CC=C(C=C1)CCCCCCNC(=O)OC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)N
InChI
InChI=1S/C26H28N2O3/c27-25(29)23-15-8-13-21(18-23)22-14-9-16-24(19-22)31-26(30)28-17-7-2-1-4-10-20-11-5-3-6-12-20/h3,5-6,8-9,11-16,18-19H,1-2,4,7,10,17H2,(H2,27,29)(H,28,30)
InChIKey
JMLPLSJWSHVJLP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
35027739
TTD ID
D0OJ7E

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 Discovery and development of fatty acid amide hydrolase (FAAH) inhibitors. J Med Chem. 2008 Dec 11;51(23):7327-43.