Details of the Drug

General Information of Drug (ID: DMQ75BN)

• Drug Name: Benzimidazole derivative 8
• Synonyms: PMID26936077-Compound-25
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 347.5
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C22H25N3O
  IUPAC Name: [2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
  Canonical SMILES: CC1=CC(=CC=C1)CN2C(=NC3=C2C=CC(=C3)C(=O)N4CCCCC4)C
  InChI: InChI=1S/C22H25N3O/c1-16-7-6-8-18(13-16)15-25-17(2)23-20-14-19(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3
  InChIKey: FWLBCCWBWAZRLY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56848967
  CAS Number: 1234208-67-3
  TTD ID: D0Z4SW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proteinase activated receptor 2 (PAR2)	TTQR74A	PAR2_HUMAN	Antagonist	[1]

References

• [1] Protease activated receptor 2 (PAR2) modulators: a patent review (2010-2015).Expert Opin Ther Pat. 2016;26(4):471-83.