Details of the Drug

General Information of Drug (ID: DMCX3N1)

Drug Name

1-Benzyl-7-chloro-4-hexyloxy-quinolinium

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

434.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C22H25BrClNO
IUPAC Name: 1-benzyl-7-chloro-4-hexoxyquinolin-1-ium;bromide
Canonical SMILES: CCCCCCOC1=C2C=CC(=CC2=[N+](C=C1)CC3=CC=CC=C3)Cl.[Br-]
InChI: InChI=1S/C22H25ClNO.BrH/c1-2-3-4-8-15-25-22-13-14-24(17-18-9-6-5-7-10-18)21-16-19(23)11-12-20(21)22;/h5-7,9-14,16H,2-4,8,15,17H2,1H3;1H/q+1;/p-1
InChIKey: RZJKFYPDZZJFFA-UHFFFAOYSA-M

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	Novel inhibitors of potassium ion channels on human T lymphocytes. J Med Chem. 1995 May 26;38(11):1877-83.