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Ligand

NameCHEMBL606228
Molecular formulaC19H28N4O4
IUPAC name(3R,4S,5R)-2-[7-(cyclooctylamino)imidazo[4,5-b]pyridin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight376.457
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.8
SynonymsBDBM50369065
Inchi KeyAPTKSGDBXBZUEM-BSPZJRRFSA-N
Inchi IDInChI=1S/C19H28N4O4/c24-10-14-16(25)17(26)19(27-14)23-11-21-15-13(8-9-20-18(15)23)22-12-6-4-2-1-3-5-7-12/h8-9,11-12,14,16-17,19,24-26H,1-7,10H2,(H,20,22)/t14-,16-,17-,19?/m1/s1
PubChem CID46875025
ChEMBLCHEMBL606228
IUPHARN/A
BindingDB50369065
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
11351Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
11352Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410

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