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Ligand

NameCHEMBL98168
Molecular formulaC25H25NO2
IUPAC name1'-(2-naphthalen-1-ylethyl)spiro[4H-isochromene-3,4'-piperidine]-1-one
Molecular weight371.48
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50074003
1''-[2-(1-naphthyl)ethyl]spiro[3,4-dihydro-1H-isochromene-3,4''-(hexahydropyridine)]-1-one
Inchi KeyAROUGQIPMYQUEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25NO2/c27-24-23-11-4-2-7-21(23)18-25(28-24)13-16-26(17-14-25)15-12-20-9-5-8-19-6-1-3-10-22(19)20/h1-11H,12-18H2
PubChem CID44330880
ChEMBLCHEMBL98168
IUPHARN/A
BindingDB50074003
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12637Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
12638Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
12636Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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