Details of the Drug

General Information of Drug (ID: DMNUKB4)

• Drug Name: PD-85639
• Synonyms: PD-85639; CHEMBL282833; 150034-24-5; CTK8E7452; BDBM50043993; RT-014971; J-008654; N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-diphenyl-acetamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.5
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C24H32N2O
  IUPAC Name: N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
  Canonical SMILES: CC1CCCC(N1CCCNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C
  InChI: InChI=1S/C24H32N2O/c1-19-11-9-12-20(2)26(19)18-10-17-25-24(27)23(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-8,13-16,19-20,23H,9-12,17-18H2,1-2H3,(H,25,27)
  InChIKey: BPZBEIHSHWNWTE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9950970
  TTD ID: D02NLI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Inhibitor	[1]
Voltage-gated sodium channel alpha Nav1.3 (SCN3A)	TTAXZ0K	SCN3A_HUMAN	Inhibitor	[2]
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)	TTZOVE0	SCN5A_HUMAN	Inhibitor	[1]

References

• [1] Medicinal chemistry of neuronal voltage-gated sodium channel blockers. J Med Chem. 2001 Jan 18;44(2):115-37.
• [2] Synthesis and pharmacological evaluation of phenylacetamides as sodium-channel blockers. J Med Chem. 1994 Jan 21;37(2):268-74.