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Ligand

NameCHEMBL542777
Molecular formulaC19H31NO5S
IUPAC name1-[4-[2-(oxolan-2-ylmethylsulfonyl)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight385.519
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.7
SynonymsBDBM50405533
CHEMBL1191646
Inchi KeyGEXUWPRQQVEBAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H31NO5S/c1-15(2)20-12-17(21)13-25-18-7-5-16(6-8-18)9-11-26(22,23)14-19-4-3-10-24-19/h5-8,15,17,19-21H,3-4,9-14H2,1-2H3
PubChem CID44264144
ChEMBLN/A
IUPHARN/A
BindingDB50405533
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
94770Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466

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