Details of the Drug

General Information of Drug (ID: DMR0HDF)

Drug Name

2-(1-Pentyl-hexyl)-4-phenyl-1H-imidazole

Synonyms

CHEMBL119494; SCHEMBL4814520

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

298.5

Logarithm of the Partition Coefficient (xlogp)

6.8

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C20H30N2
IUPAC Name: 5-phenyl-2-undecan-6-yl-1H-imidazole
Canonical SMILES: CCCCCC(CCCCC)C1=NC=C(N1)C2=CC=CC=C2
InChI: InChI=1S/C20H30N2/c1-3-5-8-14-18(15-9-6-4-2)20-21-16-19(22-20)17-12-10-7-11-13-17/h7,10-13,16,18H,3-6,8-9,14-15H2,1-2H3,(H,21,22)
InChIKey: XYWGMJFQZHLYDO-UHFFFAOYSA-N

Cross-matching ID

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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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.