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Ligand

NameCHEMBL129190
Molecular formulaC8H10FNO3
IUPAC name5-(2-amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol
Molecular weight187.17
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-0.5
SynonymsCMXBGHSRBYAOPP-UHFFFAOYSA-N
5-(2-Amino-1-hydroxyethyl)-3-fluoro-1,2-benzenediol #
AC1LC4BR
3-Fluoro-5-(1-hydroxy-2-aminoethyl)pyrocatechol
5-(2-amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol
[ Show all ]
Inchi KeyCMXBGHSRBYAOPP-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H10FNO3/c9-5-1-4(7(12)3-10)2-6(11)8(5)13/h1-2,7,11-13H,3,10H2
PubChem CID594115
ChEMBLCHEMBL129190
IUPHARN/A
BindingDB50042998
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
45798Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
45799Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418

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