Details of the Drug

General Information of Drug (ID: DMLSUXD)

Drug Name
4-Biphenyl-4-yl-2-cyclohexylmethyl-1H-imidazole
Synonyms CHEMBL334104; SCHEMBL4821982
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) 316.4
Logarithm of the Partition Coefficient (xlogp) 6.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H24N2
IUPAC Name
2-(cyclohexylmethyl)-5-(4-phenylphenyl)-1H-imidazole
Canonical SMILES
C1CCC(CC1)CC2=NC=C(N2)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2/c1-3-7-17(8-4-1)15-22-23-16-21(24-22)20-13-11-19(12-14-20)18-9-5-2-6-10-18/h2,5-6,9-14,16-17H,1,3-4,7-8,15H2,(H,23,24)
InChIKey
LAHDQEJNOQBNSA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9966703
TTD ID
D08KBV
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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.