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Ligand

NameCHEMBL491419
Molecular formulaC28H33N3O4
IUPAC name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[2-[(2-phenoxypyridin-3-yl)methoxy]ethyl]-1,4-diazepane
Molecular weight475.589
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50263724
1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-(2-((2-phenoxypyridin-3-yl)methoxy)ethyl)-1,4-diazepane
Inchi KeyAFRRMVBYOMNLHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33N3O4/c1-2-9-24(10-3-1)35-28-23(8-6-13-29-28)21-32-19-18-30-14-7-15-31(17-16-30)20-25-22-33-26-11-4-5-12-27(26)34-25/h1-6,8-13,25H,7,14-22H2
PubChem CID44579271
ChEMBLCHEMBL491419
IUPHARN/A
BindingDB50263724
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
4417Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
4416Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
4415Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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