Details of the Drug

General Information of Drug (ID: DM0DFNJ)

Drug Name
Nicotinaldehyde O-4-butoxyphenylcarbamoyl oxime
Synonyms CHEMBL597445; nicotinaldehyde O-4-butoxyphenylcarbamoyl oxime
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) 313.35
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H19N3O3
IUPAC Name
[(E)-pyridin-3-ylmethylideneamino] N-(4-butoxyphenyl)carbamate
Canonical SMILES
CCCCOC1=CC=C(C=C1)NC(=O)O/N=C/C2=CN=CC=C2
InChI
InChI=1S/C17H19N3O3/c1-2-3-11-22-16-8-6-15(7-9-16)20-17(21)23-19-13-14-5-4-10-18-12-14/h4-10,12-13H,2-3,11H2,1H3,(H,20,21)/b19-13+
InChIKey
GPBQAYXYNOXDEZ-CPNJWEJPSA-N
Cross-matching ID
PubChem CID
20872718
TTD ID
D04OMK

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.