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Ligand

NameCHEMBL252319
Molecular formulaC13H21NO2
IUPAC name(2S)-1-(3-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular weight223.316
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP1.9
Synonyms(S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol ((2S)-toliprolol)
ZINC2033145
BDBM50241366
SCHEMBL79268
(S)-Toliprolol
[ Show all ]
Inchi KeyNXQMNKUGGYNLBY-LBPRGKRZSA-N
Inchi IDInChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1
PubChem CID12179890
ChEMBLCHEMBL252319
IUPHARN/A
BindingDB50241366
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
234587Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
234588Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418
234589Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
234590Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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