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Ligand

NameCHEMBL470292
Molecular formulaC25H28N2O4
IUPAC name4-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
Molecular weight420.509
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.2
Synonyms4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid
(R)-4''-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)-3-isopropoxybiphenyl-4-carboxylic acid
BDBM50243064
Inchi KeyYNNCJPLSEBDJPD-QHCPKHFHSA-N
Inchi IDInChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,29,30)/t23-/m0/s1
PubChem CID24895783
ChEMBLCHEMBL470292
IUPHARN/A
BindingDB50243064
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
414626Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
414625Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
414623Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405
414624Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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