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Ligand

NameCHEMBL454919
Molecular formulaC32H36Cl2N2
IUPAC name(1S,5S)-3-benzyl-8-[bis(2-chlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)-8-azabicyclo[3.2.1]octane
Molecular weight519.554
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP8.4
SynonymsBDBM50245825
(rel)-3-benzyl-8-(bis(2-chlorophenyl)methyl)-3-(pyrrolidin-1-ylmethyl)-8-aza-bicyclo[3.2.1]octane
Inchi KeyAFWWICDZLXWMDM-UIOOFZCWSA-N
Inchi IDInChI=1S/C32H36Cl2N2/c33-29-14-6-4-12-27(29)31(28-13-5-7-15-30(28)34)36-25-16-17-26(36)22-32(21-25,23-35-18-8-9-19-35)20-24-10-2-1-3-11-24/h1-7,10-15,25-26,31H,8-9,16-23H2/t25-,26-/m0/s1
PubChem CID44562636
ChEMBLN/A
IUPHARN/A
BindingDB50245825
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4574Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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