General Information of Drug (ID: DMOCG6M)

Drug Name
Pyridin-3-yl 4-butoxybenzylcarbamate
Synonyms CHEMBL596877; pyridin-3-yl 4-butoxybenzylcarbamate
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) 300.35
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H20N2O3
IUPAC Name
pyridin-3-yl N-[(4-butoxyphenyl)methyl]carbamate
Canonical SMILES
CCCCOC1=CC=C(C=C1)CNC(=O)OC2=CN=CC=C2
InChI
InChI=1S/C17H20N2O3/c1-2-3-11-21-15-8-6-14(7-9-15)12-19-17(20)22-16-5-4-10-18-13-16/h4-10,13H,2-3,11-12H2,1H3,(H,19,20)
InChIKey
CZFYUEMAFQHRFG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
20872734
TTD ID
D03SUI

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 Oxime carbamate--discovery of a series of novel FAAH inhibitors. Bioorg Med Chem Lett. 2010 Feb 1;20(3):1272-7.