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Ligand

NameCHEMBL449347
Molecular formulaC28H31NO2
IUPAC name(2R,3R)-2-benzhydryl-3-[(2-methoxyphenyl)methoxy]-1-azabicyclo[2.2.2]octane
Molecular weight413.561
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50280460
(2R,3R)-2-(2,2-Diphenyl-ethyl)-3-(2-methoxy-benzyloxy)-1-aza-bicyclo[2.2.2]octane
Inchi KeyQXSIOQKZUFLLLE-VSGBNLITSA-N
Inchi IDInChI=1S/C28H31NO2/c1-30-25-15-9-8-14-24(25)20-31-28-23-16-18-29(19-17-23)27(28)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-28H,16-20H2,1H3/t27-,28-/m1/s1
PubChem CID44368326
ChEMBLCHEMBL449347
IUPHARN/A
BindingDB50280460
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
289452Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
289451Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
289450Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
289453Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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