Details of the Drug

General Information of Drug (ID: DM9XH18)

• Drug Name: N-(3-Phenyl)propyl-2,2-diphenylacetamide
• Synonyms: 2,2-diphenyl-N-(3-phenylpropyl)acetamide; CHEMBL476336; N-(3-Phenyl)propyl-2,2-diphenylacetamide; AC1M5U8J; MolPort-003-249-505; ZINC3269206; STK437441; BDBM50263151; AKOS001062446; MCULE-9627491940; N-(3-Phenylpropyl)-2,2-diphenylacetamide; ST50913753; Z26437312

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 329.4
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C23H23NO
  IUPAC Name: 2,2-diphenyl-N-(3-phenylpropyl)acetamide
  Canonical SMILES: C1=CC=C(C=C1)CCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
  InChI: InChI=1S/C23H23NO/c25-23(24-18-10-13-19-11-4-1-5-12-19)22(20-14-6-2-7-15-20)21-16-8-3-9-17-21/h1-9,11-12,14-17,22H,10,13,18H2,(H,24,25)
  InChIKey: GGASESVHBWYDKY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2385541
  TTD ID: D0V2NQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cannabinoid receptor 1 (CB1)	TT6OEDT	CNR1_HUMAN	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
Cannabinoid receptor 1 (CB1)	DTT	CNR1	5.59E-02	-0.22	-0.45
Cannabinoid receptor 1 (CB1)	DTT	CNR1	7.68E-01	-0.06	-0.46

References

• [1] Novel sterically hindered cannabinoid CB1 receptor ligands. Bioorg Med Chem. 2008 Aug 1;16(15):7510-5.