Details of the Drug

General Information of Drug (ID: DMC9WAL)

• Drug Name: Nicotinaldehyde O-4-propoxyphenylcarbamoyl oxime
• Synonyms: CHEMBL598545; nicotinaldehyde O-4-propoxyphenylcarbamoyl oxime

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); 299.32
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C16H17N3O3
  IUPAC Name: [(E)-pyridin-3-ylmethylideneamino] N-(4-propoxyphenyl)carbamate
  Canonical SMILES: CCCOC1=CC=C(C=C1)NC(=O)O/N=C/C2=CN=CC=C2
  InChI: InChI=1S/C16H17N3O3/c1-2-10-21-15-7-5-14(6-8-15)19-16(20)22-18-12-13-4-3-9-17-11-13/h3-9,11-12H,2,10H2,1H3,(H,19,20)/b18-12+
  InChIKey: RKEOSRSRXNLQCF-LDADJPATSA-N
• Cross-matching ID:
  PubChem CID: 20872731
  TTD ID: D09NFX

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.