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Ligand

NameMLS001000987
Molecular formulaC17H21NO3
IUPAC name3-(2-phenylethylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Molecular weight287.359
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP2.7
Synonyms2-[oxo-(2-phenylethylamino)methyl]-3-bicyclo[2.2.1]heptanecarboxylic acid
AKOS022161947
MolPort-002-108-600
3-[N-(2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CHEMBL1891198
[ Show all ]
Inchi KeyBGECMOWJZQPCEC-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21NO3/c19-16(18-9-8-11-4-2-1-3-5-11)14-12-6-7-13(10-12)15(14)17(20)21/h1-5,12-15H,6-10H2,(H,18,19)(H,20,21)
PubChem CID6468911
ChEMBLCHEMBL1891198
IUPHARN/A
BindingDB96746
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22899Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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