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Ligand

NameCHEMBL11406
Molecular formulaC25H31N3O6
IUPAC nameethyl 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]phenyl]-1H-imidazole-5-carboxylate
Molecular weight469.538
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.1
SynonymsBDBM50405436
SCHEMBL10725246
Inchi KeyCYHRVHJKPSJOGI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O6/c1-4-33-25(30)21-15-27-24(28-21)18-6-8-20(9-7-18)34-16-19(29)14-26-12-11-17-5-10-22(31-2)23(13-17)32-3/h5-10,13,15,19,26,29H,4,11-12,14,16H2,1-3H3,(H,27,28)
PubChem CID13621686
ChEMBLCHEMBL11406
IUPHARN/A
BindingDB50405436
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
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GLASS IDNameUniProtGeneSpeciesLength
53521Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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