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Ligand

NameCHEMBL570593
Molecular formulaC27H30N2O4
IUPAC name3-[3-cyano-4-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]propanoic acid
Molecular weight446.547
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.9
Synonyms3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthalenyl)ethyl]-amino}-2-hydroxypropyl)oxy]phenyl}propanoic Acid
BDBM50299546
SCHEMBL6377127
ZINC45261420
Inchi KeyBKMZXLKUUMOTKA-XMMPIXPASA-N
Inchi IDInChI=1S/C27H30N2O4/c1-27(2,15-20-7-10-21-5-3-4-6-22(21)14-20)29-17-24(30)18-33-25-11-8-19(9-12-26(31)32)13-23(25)16-28/h3-8,10-11,13-14,24,29-30H,9,12,15,17-18H2,1-2H3,(H,31,32)/t24-/m1/s1
PubChem CID24769038
ChEMBLCHEMBL570593
IUPHARN/A
BindingDB50299546
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
25935Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
25934Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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