Details of the Drug

General Information of Drug (ID: DMHJ98M)

• Drug Name: Benzimidazole derivative 9
• Synonyms: PMID26936077-Compound-26
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 333.4
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C21H23N3O
  IUPAC Name: [2-methyl-3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
  Canonical SMILES: CC1=CC(=CC=C1)C2=C(N=C3N2C=C(C=C3)C(=O)N4CCCCC4)C
  InChI: InChI=1S/C21H23N3O/c1-15-7-6-8-17(13-15)20-16(2)22-19-10-9-18(14-24(19)20)21(25)23-11-4-3-5-12-23/h6-10,13-14H,3-5,11-12H2,1-2H3
  InChIKey: RKISYXMPLQOYPU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56832519
  TTD ID: D0T6SP

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.