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Ligand

NameCHEMBL604333
Molecular formulaC21H23F3N2O4
IUPAC name6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
Molecular weight424.42
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.7
Synonymsrac-6-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
8-{2-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamino]-1-hydroxy-ethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one
SCHEMBL1720822
AOBQGHZAKUAZSB-UHFFFAOYSA-N
BDBM50306807
Inchi KeyAOBQGHZAKUAZSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(6-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
PubChem CID46232856
ChEMBLCHEMBL604333
IUPHARN/A
BindingDB50306807
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
10105Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
10106Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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