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Ligand

NameCHEMBL153042
Molecular formulaC28H31ClN2
IUPAC name(2R,3R)-2-benzhydryl-N-[2-(2-chlorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight431.02
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.5
SynonymsBDBM50280465
[2-(2-Chloro-phenyl)-ethyl]-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine
Inchi KeyLKTXZRZNGUFCKQ-VSGBNLITSA-N
Inchi IDInChI=1S/C28H31ClN2/c29-25-14-8-7-9-21(25)15-18-30-27-24-16-19-31(20-17-24)28(27)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-14,24,26-28,30H,15-20H2/t27-,28-/m1/s1
PubChem CID15037920
ChEMBLCHEMBL153042
IUPHARN/A
BindingDB50280465
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
189898Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
189896Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
189897Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
189899Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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