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Ligand

NameCHEMBL574712
Molecular formulaC20H28N2
IUPAC name1-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]but-3-ynyl]piperidine
Molecular weight296.458
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50414804
SCHEMBL3905061
Inchi KeyAFLLBHCLMHXGNC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28N2/c1-3-13-21(14-4-1)15-5-2-8-19-9-11-20(12-10-19)18-22-16-6-7-17-22/h9-12H,1,3-7,13-18H2
PubChem CID10193075
ChEMBLCHEMBL574712
IUPHARN/A
BindingDB50414804
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
4268Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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