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Ligand

NameCHEMBL3730179
Molecular formulaC30H33NO
IUPAC name(2E)-2-(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ylidene)-1-(3,5-dimethylphenyl)ethanol
Molecular weight423.6
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.7
SynonymsL008647
Inchi KeyOZBJHOWASPNNLC-NHFJDJAPSA-N
Inchi IDInChI=1S/C30H33NO/c1-21-17-22(2)19-26(18-21)28(32)20-27-23-13-15-31(16-14-23)30(27)29(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-12,17-20,23,28-30,32H,13-16H2,1-2H3/b27-20+
PubChem CID44210958
ChEMBLCHEMBL3730179
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
528779Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
528780Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323

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