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Ligand

NameCHEMBL23912
Molecular formulaC21H28N4O2
IUPAC nameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide
Molecular weight368.481
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsSCHEMBL9650872
BDBM50034307
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-nicotinamide
Inchi KeyAHHOKEBBUZLGDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N4O2/c1-27-20-9-3-2-8-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)18-7-6-10-22-17-18/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,23,26)
PubChem CID10067621
ChEMBLCHEMBL23912
IUPHARN/A
BindingDB50034307
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
55565-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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