Details of the Drug

General Information of Drug (ID: DMH3BG5)

Drug Name

[1-Benzyl-1H-quinolin-(4E)-ylidene]-hexyl-amine

Synonyms

CHEMBL56173; [1-Benzyl-1H-quinolin-(4E)-ylidene]-hexyl-amine; BDBM50030521; 1-Benzyl N-hexylquinolin-4(1H)-imine

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)

318.5

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H26N2
IUPAC Name: 1-benzyl-N-hexylquinolin-4-imine
Canonical SMILES: CCCCCCN=C1C=CN(C2=CC=CC=C12)CC3=CC=CC=C3
InChI: InChI=1S/C22H26N2/c1-2-3-4-10-16-23-21-15-17-24(18-19-11-6-5-7-12-19)22-14-9-8-13-20(21)22/h5-9,11-15,17H,2-4,10,16,18H2,1H3
InChIKey: GRLRXFAGAKMYSQ-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	Novel inhibitors of potassium ion channels on human T lymphocytes. J Med Chem. 1995 May 26;38(11):1877-83.