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Ligand

NameCHEMBL610112
Molecular formulaC23H25N9O8S
IUPAC name(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfonylamino]phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight587.568
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogP-0.6
SynonymsBDBM50369388
Inchi KeyCYIFVQMMHGFZCJ-OFRRTHGGSA-N
Inchi IDInChI=1S/C23H25N9O8S/c1-3-24-21(35)18-16(33)17(34)22(39-18)32-10-27-15-19(25-9-26-20(15)32)29-23(36)28-12-4-6-13(7-5-12)31-41(37,38)14-8-11(2)40-30-14/h4-10,16-18,22,31,33-34H,3H2,1-2H3,(H,24,35)(H2,25,26,28,29,36)/t16-,17+,18-,22?/m0/s1
PubChem CID46875883
ChEMBLCHEMBL610112
IUPHARN/A
BindingDB50369388
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
53534Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
53532Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
53533Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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