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Ligand

NameCHEMBL337692
Molecular formulaC34H41N3O4
IUPAC name2-adamantyl 2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-(1H-indol-3-ylmethyl)pyrrolidine-1-carboxylate
Molecular weight555.719
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.6
Synonyms2-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-ylmethyl)-pyrrolidine-1-carboxylic acid adamantan-2-yl ester
BDBM50280444
Inchi KeyFFSBTDBRIVLLNZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H41N3O4/c38-21-28(18-22-7-2-1-3-8-22)36-32(39)34(19-27-20-35-30-10-5-4-9-29(27)30)11-6-12-37(34)33(40)41-31-25-14-23-13-24(16-25)17-26(31)15-23/h1-5,7-10,20,23-26,28,31,35,38H,6,11-19,21H2,(H,36,39)
PubChem CID44353183
ChEMBLCHEMBL337692
IUPHARN/A
BindingDB50280444
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
77367Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
77366Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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