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Ligand

NameCHEMBL610121
Molecular formulaC34H48N8O6S
IUPAC name(2S,3S,4R)-5-[6-[10-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]decylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight696.868
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP4.8
SynonymsBDBM50366540
Inchi KeyDJXCSFITSMYHGG-YWVZPYGGSA-N
Inchi IDInChI=1S/C34H48N8O6S/c1-4-35-33(45)30-28(43)29(44)34(48-30)42-22-39-27-31(37-21-38-32(27)42)36-19-11-9-7-5-6-8-10-12-20-40-49(46,47)26-18-14-15-23-24(26)16-13-17-25(23)41(2)3/h13-18,21-22,28-30,34,40,43-44H,4-12,19-20H2,1-3H3,(H,35,45)(H,36,37,38)/t28-,29+,30-,34?/m0/s1
PubChem CID46875962
ChEMBLCHEMBL610121
IUPHARN/A
BindingDB50366540
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
61897Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
61898Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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