Details of the Drug

General Information of Drug (ID: DM94PBL)

Drug Name
2-Hexyl-4-(4-isobutyl-phenyl)-1H-imidazole
Synonyms CHEMBL331942; SCHEMBL4812369
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) 284.4
Logarithm of the Partition Coefficient (xlogp) 6.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C19H28N2
IUPAC Name
2-hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
Canonical SMILES
CCCCCCC1=NC=C(N1)C2=CC=C(C=C2)CC(C)C
InChI
InChI=1S/C19H28N2/c1-4-5-6-7-8-19-20-14-18(21-19)17-11-9-16(10-12-17)13-15(2)3/h9-12,14-15H,4-8,13H2,1-3H3,(H,20,21)
InChIKey
DJDWXDSQUIVYCH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9795821
CAS Number
478869-61-3
TTD ID
D08VUM
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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