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Ligand

NameCHEMBL32115
Molecular formulaC20H25ClN2O4
IUPAC name2-[2-chloro-4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-N-methylanilino]acetic acid
Molecular weight392.88
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.7
Synonyms[[4-[2-[[(1S,2R)-2-(4-Hydroxyphenyl)-2-hydroxy-1-methylethyl]amino]ethyl]-6-chlorophenyl](methyl)amino]acetic acid
BDBM50409483
SCHEMBL8073030
Inchi KeyIKLPSWXVJZEIMF-RBZFPXEDSA-N
Inchi IDInChI=1S/C20H25ClN2O4/c1-13(20(27)15-4-6-16(24)7-5-15)22-10-9-14-3-8-18(17(21)11-14)23(2)12-19(25)26/h3-8,11,13,20,22,24,27H,9-10,12H2,1-2H3,(H,25,26)/t13-,20-/m0/s1
PubChem CID10475645
ChEMBLCHEMBL32115
IUPHARN/A
BindingDB50409483
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
135454Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
135455Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
135453Beta-3 adrenergic receptorP26255Adrb3Rattus norvegicus (Rat)400

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