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Ligand

NameCHEMBL339944
Molecular formulaC21H26N2
IUPAC name3-(3-piperidin-1-yl-2-bicyclo[2.2.2]oct-5-enyl)-1H-indole
Molecular weight306.453
Hydrogen bond acceptor1
Hydrogen bond donor1
XlogP4.5
Synonyms3-(3-Piperidin-1-yl-bicyclo[2.2.2]oct-5-en-2-yl)-1H-indole
BDBM50012983
Inchi KeyRBUWJVDSTORLDM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N2/c1-4-12-23(13-5-1)21-16-10-8-15(9-11-16)20(21)18-14-22-19-7-3-2-6-17(18)19/h2-3,6-8,10,14-16,20-22H,1,4-5,9,11-13H2
PubChem CID44351288
ChEMBLCHEMBL339944
IUPHARN/A
BindingDB50012983
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
2924335-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421

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