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Ligand

NameCHEMBL42267
Molecular formulaC20H29N3O4
IUPAC name1-(dicyclopropylmethylideneamino)oxy-3-[4-(2-methyl-2-nitropropyl)anilino]propan-2-ol
Molecular weight375.469
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50064220
Dicyclopropyl ketone O-[2-hydroxy-3-[[4-(2-methyl-2-nitropropyl)phenyl]amino]propyl]oxime
Dicyclopropyl-methanone O-{2-hydroxy-3-[4-(2-methyl-2-nitro-propyl)-phenylamino]-propyl}-oxime
Inchi KeyLAYFYVAWRJMLET-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29N3O4/c1-20(2,23(25)26)11-14-3-9-17(10-4-14)21-12-18(24)13-27-22-19(15-5-6-15)16-7-8-16/h3-4,9-10,15-16,18,21,24H,5-8,11-13H2,1-2H3
PubChem CID10549600
ChEMBLCHEMBL42267
IUPHARN/A
BindingDB50064220
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
182958Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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