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Ligand

NameCHEMBL59985
Molecular formulaC37H50N2O3
IUPAC name2-adamantyl N-[2-methyl-1-oxo-1-(2-phenylethylamino)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-yl]carbamate
Molecular weight570.818
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP8.9
SynonymsBDBM50289881
[1-Methyl-1-phenethylcarbamoyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethyl]-carbamic acid adamantan-2-yl ester
Inchi KeyBJEDWCPPZLYQHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H50N2O3/c1-35(2)14-15-36(3,4)31-22-25(11-12-30(31)35)23-37(5,33(40)38-16-13-24-9-7-6-8-10-24)39-34(41)42-32-28-18-26-17-27(20-28)21-29(32)19-26/h6-12,22,26-29,32H,13-21,23H2,1-5H3,(H,38,40)(H,39,41)
PubChem CID44303652
ChEMBLCHEMBL59985
IUPHARN/A
BindingDB50289881
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24990Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
24991Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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