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Ligand

NameCHEMBL389629
Molecular formulaC17H21NO3
IUPAC name5-[(1R)-1-hydroxy-2-[[(2R)-1-phenylpropan-2-yl]amino]ethyl]benzene-1,3-diol
Molecular weight287.359
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.3
SynonymsSCHEMBL7150211
(R,R)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylamino]-1-hydroxyethyl}-1,3-benzenediol
BDBM50213108
Inchi KeyGGCAKMLDJKMBIK-PXAZEXFGSA-N
Inchi IDInChI=1S/C17H21NO3/c1-12(7-13-5-3-2-4-6-13)18-11-17(21)14-8-15(19)10-16(20)9-14/h2-6,8-10,12,17-21H,7,11H2,1H3/t12-,17+/m1/s1
PubChem CID16737411
ChEMBLCHEMBL389629
IUPHARN/A
BindingDB50213108
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
95568Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
95567Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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