Details of the Drug

General Information of Drug (ID: DMU7INH)

Drug Name
Benzaldehyde O-4-(heptyloxy)phenylcarbamoyl oxime
Synonyms CHEMBL597228; benzaldehyde O-4-(heptyloxy)phenylcarbamoyl 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): 2 Molecular Weight (mw) 354.4
Logarithm of the Partition Coefficient (xlogp) 6
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H26N2O3
IUPAC Name
[(E)-benzylideneamino] N-(4-heptoxyphenyl)carbamate
Canonical SMILES
CCCCCCCOC1=CC=C(C=C1)NC(=O)O/N=C/C2=CC=CC=C2
InChI
InChI=1S/C21H26N2O3/c1-2-3-4-5-9-16-25-20-14-12-19(13-15-20)23-21(24)26-22-17-18-10-7-6-8-11-18/h6-8,10-15,17H,2-5,9,16H2,1H3,(H,23,24)/b22-17+
InChIKey
QGTJCMKYCHZBTK-OQKWZONESA-N
Cross-matching ID
PubChem CID
20872796
TTD ID
D09YVZ

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.