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Ligand

NameCHEMBL141494
Molecular formulaC21H25N5OS
IUPAC nameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-4-carboxamide
Molecular weight395.525
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50054709
N-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-isonicotinamide
N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]pyridine-4-carboxamide
SCHEMBL9207622
Inchi KeyLEBIUZBOHXBTBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25N5OS/c27-21(17-7-10-22-11-8-17)23-9-3-4-12-25-13-15-26(16-14-25)20-18-5-1-2-6-19(18)28-24-20/h1-2,5-8,10-11H,3-4,9,12-16H2,(H,23,27)
PubChem CID10620723
ChEMBLCHEMBL141494
IUPHARN/A
BindingDB50054709
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1851595-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
185158D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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