Details of the Drug

General Information of Drug (ID: DM8FXM6)

• Drug Name: Propan-2-one O-4-(heptyloxy)phenylcarbamoyl oxime
• Synonyms: CHEMBL597294; propan-2-one O-4-(heptyloxy)phenylcarbamoyl 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); 306.4
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H26N2O3
  IUPAC Name: (propan-2-ylideneamino) N-(4-heptoxyphenyl)carbamate
  Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)NC(=O)ON=C(C)C
  InChI: InChI=1S/C17H26N2O3/c1-4-5-6-7-8-13-21-16-11-9-15(10-12-16)18-17(20)22-19-14(2)3/h9-12H,4-8,13H2,1-3H3,(H,18,20)
  InChIKey: YXHJSUXZTSOPMI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 20872819
  TTD ID: D00VVB

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.