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Ligand

NameCHEMBL69036
Molecular formulaC25H32F3N3O4
IUPAC name(6S)-6-[[(2R)-3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamide
Molecular weight495.543
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.2
Synonyms6-[3-(4-Acetylamino-phenoxy)-2-hydroxy-propylamino]-heptanoic acid (4-trifluoromethyl-phenyl)-amide(R,S)
BDBM50010557
Inchi KeyWNEIZOXOSDHMKM-HTAPYJJXSA-N
Inchi IDInChI=1S/C25H32F3N3O4/c1-17(29-15-22(33)16-35-23-13-11-20(12-14-23)30-18(2)32)5-3-4-6-24(34)31-21-9-7-19(8-10-21)25(26,27)28/h7-14,17,22,29,33H,3-6,15-16H2,1-2H3,(H,30,32)(H,31,34)/t17-,22+/m0/s1
PubChem CID14485418
ChEMBLCHEMBL69036
IUPHARN/A
BindingDB50010557
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
377516Beta-2 adrenergic receptorP18762Adrb2Mus musculus (Mouse)418

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