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Ligand

NameCHEMBL346626
Molecular formulaC29H33ClN2
IUPAC name(2R,3R)-2-benzhydryl-N-[3-(2-chlorophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight445.047
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50280467
[3-(2-Chloro-phenyl)-propyl]-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine
Inchi KeyRGXKBMFDOAFNBV-FQLXRVMXSA-N
Inchi IDInChI=1S/C29H33ClN2/c30-26-16-8-7-10-22(26)15-9-19-31-28-25-17-20-32(21-18-25)29(28)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,10-14,16,25,27-29,31H,9,15,17-21H2/t28-,29-/m1/s1
PubChem CID15037921
ChEMBLCHEMBL346626
IUPHARN/A
BindingDB50280467
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
295900Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
295898Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
295897Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
295899Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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