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]
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
PubChem CID
44298928
TTD ID
D0L0FC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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.