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Ligand

NameCHEMBL3729794
Molecular formulaC28H28N2O
IUPAC name3-[[(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]oxymethyl]benzonitrile
Molecular weight408.545
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.4
SynonymsN/A
Inchi KeyUTAKSYGAZXEURO-PLYLYKGUSA-N
Inchi IDInChI=1S/C28H28N2O/c29-19-21-8-7-9-22(18-21)20-31-28-25-14-16-30(17-15-25)27(28)26(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-13,18,25-28H,14-17,20H2/t27?,28-/m1/s1
PubChem CID46221497
ChEMBLCHEMBL3729794
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
531242Mas-related G-protein coupled receptor member X1Q8R4G1Mrgprx1Rattus norvegicus (Rat)323
531243Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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