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Ligand

NameCHEMBL152011
Molecular formulaC22H28N2O
IUPAC name(2R,3R)-2-benzyl-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight336.479
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
Synonyms(2-Methoxy-benzyl)-((2R,3R)-2-phenethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amine
2alpha-Benzyl-N-(2-methoxybenzyl)quinuclidin-3alpha-amine
BDBM50280463
Inchi KeyJTNZAZWXIUSVNY-IFMALSPDSA-N
Inchi IDInChI=1S/C22H28N2O/c1-25-21-10-6-5-9-19(21)16-23-22-18-11-13-24(14-12-18)20(22)15-17-7-3-2-4-8-17/h2-10,18,20,22-23H,11-16H2,1H3/t20-,22-/m1/s1
PubChem CID14986146
ChEMBLCHEMBL152011
IUPHARN/A
BindingDB50280463
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
159643Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
159646Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
159644Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
159645Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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