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Ligand

NameCHEMBL2096751
Molecular formulaC22H27N3O4
IUPAC name(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
Molecular weight397.475
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsBDBM50404979
SCHEMBL11086942
Inchi KeyBEZXHPWSRAUJBW-SFHVURJKSA-N
Inchi IDInChI=1S/C22H27N3O4/c1-27-20-8-3-16(13-21(20)28-2)9-10-23-14-18(26)15-29-19-6-4-17(5-7-19)22-24-11-12-25-22/h3-8,11-13,18,23,26H,9-10,14-15H2,1-2H3,(H,24,25)/t18-/m0/s1
PubChem CID13157374
ChEMBLCHEMBL2096751
IUPHARN/A
BindingDB50404979
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
22100Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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