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Ligand

NameCHEMBL356912
Molecular formulaC27H29ClN2
IUPAC name(2R,3R)-2-benzhydryl-N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight416.993
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.0
Synonyms(2-Chloro-benzyl)-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine
2alpha-(Diphenylmethyl)-N-(2-chlorobenzyl)quinuclidin-3alpha-amine
BDBM50280458
Inchi KeyLURXNRSWKKLLDE-KAYWLYCHSA-N
Inchi IDInChI=1S/C27H29ClN2/c28-24-14-8-7-13-23(24)19-29-26-22-15-17-30(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,29H,15-19H2/t26-,27-/m1/s1
PubChem CID10202046
ChEMBLCHEMBL356912
IUPHARN/A
BindingDB50280458
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
196880Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
196878Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
196879Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
196881Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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