Details of the Drug

General Information of Drug (ID: DM2I13S)

Drug Name
4-Biphenyl-4-yl-2-(1-propyl-butyl)-1H-imidazole
Synonyms CHEMBL118682; SCHEMBL4811439
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 318.5
Logarithm of the Partition Coefficient (xlogp) 6.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H26N2
IUPAC Name
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
Canonical SMILES
CCCC(CCC)C1=NC=C(N1)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2/c1-3-8-20(9-4-2)22-23-16-21(24-22)19-14-12-18(13-15-19)17-10-6-5-7-11-17/h5-7,10-16,20H,3-4,8-9H2,1-2H3,(H,23,24)
InChIKey
VAJCFLBVVHOAAW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9923013
TTD ID
D0K1UR
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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 [1]
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References

1 2-Alkyl-4-arylimidazoles: structurally novel sodium channel modulators. Bioorg Med Chem Lett. 2004 Jul 5;14(13):3521-3.