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Ligand

NameCHEMBL272584
Molecular formulaC26H28ClNO4
IUPAC name4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
Molecular weight453.963
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.9
Synonyms4'-[2-[[(betaR)-3-Chloro-beta-hydroxyphenethyl]amino]ethyl]-3-isopropoxy-4-biphenylcarboxylic acid
BDBM50236183
(R)-4''-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)ethyl)-3-isopropoxybiphenyl-4-carboxylic acid
4-(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)-3-isopropoxy-4-biphenyl-4-carboxylic acid
4''-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-ethyl}-3-isopropoxy-biphenyl-4-carboxylic acid
Inchi KeyFILCWTJCNLYKQZ-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
PubChem CID24823127
ChEMBLCHEMBL272584
IUPHARN/A
BindingDB50236183
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
79122Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
79119Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
79120Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
79121Beta-3 adrenergic receptorO02662ADRB3Canis lupus familiaris (Dog)405

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