Details of the Drug

General Information of Drug (ID: DM31E6J)

Drug Name

2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide

Synonyms

CHEMBL16450; 2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide

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): 0

Molecular Weight (mw)

297.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H23NO2
IUPAC Name: 2-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
Canonical SMILES: CC(C)C(CNC(=O)C1=CC=CC=C1OC)C2=CC=CC=C2
InChI: InChI=1S/C19H23NO2/c1-14(2)17(15-9-5-4-6-10-15)13-20-19(21)16-11-7-8-12-18(16)22-3/h4-12,14,17H,13H2,1-3H3,(H,20,21)
InChIKey: XVFLGHVOMBWJAC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.3 (KCNA3)	TTY3UE6	KCNA3_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Benzamide derivatives as blockers of Kv1.3 ion channel. Bioorg Med Chem Lett. 2003 Mar 24;13(6):1161-4.