Details of the Drug

General Information of Drug (ID: DML3PE4)

• Drug Name: Benzimidazole derivative 10
• Synonyms: PMID26936077-Compound-27
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 430.5
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C26H30N4O2
  IUPAC Name: cyclohexyl-[4-(2-methyl-3-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methanone
  Canonical SMILES: CC1=C(N2C=C(C=CC2=N1)C(=O)N3CCN(CC3)C(=O)C4CCCCC4)C5=CC=CC=C5
  InChI: InChI=1S/C26H30N4O2/c1-19-24(20-8-4-2-5-9-20)30-18-22(12-13-23(30)27-19)26(32)29-16-14-28(15-17-29)25(31)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,18,21H,3,6-7,10-11,14-17H2,1H3
  InChIKey: BQTLJTZGAMQFGS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56848369
  TTD ID: D05VXK

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.