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Ligand

NameCHEMBL40679
Molecular formulaC17H24N2O2
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-(2-methylanilino)propan-2-ol
Molecular weight288.391
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50064208
Dicyclopropyl ketone O-[2-hydroxy-3-[(2-methylphenyl)amino]propyl]oxime
Dicyclopropyl-methanone O-(2-hydroxy-3-o-tolylamino-propyl)-oxime
Inchi KeyAZJJSKOUHVSHNT-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H24N2O2/c1-12-4-2-3-5-16(12)18-10-15(20)11-21-19-17(13-6-7-13)14-8-9-14/h2-5,13-15,18,20H,6-11H2,1H3
PubChem CID10643362
ChEMBLCHEMBL40679
IUPHARN/A
BindingDB50064208
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
18215Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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