Details of the Drug

General Information of Drug (ID: DMLHKQS)

• Drug Name: Benzaldehyde O-4-methoxyphenylcarbamoyl oxime
• Synonyms: CHEMBL599469; benzaldehyde O-4-methoxyphenylcarbamoyl oxime; AC1NSB21; MLS001207590; MolPort-001-926-439; BDBM50309693; AKOS000588577; BAS 00346640; SMR000513623; ST50224746; AB00076721-01; [(E)-benzylideneamino] N-(4-methoxyphenyl)carbamate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 270.28
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H14N2O3
  IUPAC Name: [(E)-benzylideneamino] N-(4-methoxyphenyl)carbamate
  Canonical SMILES: COC1=CC=C(C=C1)NC(=O)O/N=C/C2=CC=CC=C2
  InChI: InChI=1S/C15H14N2O3/c1-19-14-9-7-13(8-10-14)17-15(18)20-16-11-12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)/b16-11+
  InChIKey: TZKNCCSAQUKSHR-LFIBNONCSA-N
• Cross-matching ID:
  PubChem CID: 5331416
  TTD ID: D0F7OX

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 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

References

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