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Ligand

NameCHEMBL42322
Molecular formulaC23H33NO4S
IUPAC name1-[4-[2-[2-(4-methylsulfanylphenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight419.58
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL10792109
Inchi KeyLADORASEDLLOPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H33NO4S/c1-18(2)24-16-20(25)17-28-22-8-6-21(7-9-22)27-15-14-26-13-12-19-4-10-23(29-3)11-5-19/h4-11,18,20,24-25H,12-17H2,1-3H3
PubChem CID13210838
ChEMBLCHEMBL42322
IUPHARN/A
BindingDBN/A
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
182405Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
182406Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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