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Ligand

NameCHEMBL2113407
Molecular formulaC18H24N6O5
IUPAC name(2S,3S,4R,5R)-5-[6-amino-2-(6-hydroxyhex-1-ynyl)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight404.427
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-0.8
SynonymsBDBM50453353
2-(6-Hydroxy-1-hexynyl)-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine
Inchi KeyAPICKFOATAPNKD-MOROJQBDSA-N
Inchi IDInChI=1S/C18H24N6O5/c1-2-20-17(28)14-12(26)13(27)18(29-14)24-9-21-11-15(19)22-10(23-16(11)24)7-5-3-4-6-8-25/h9,12-14,18,25-27H,2-4,6,8H2,1H3,(H,20,28)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
PubChem CID10386492
ChEMBLCHEMBL2113407
IUPHARN/A
BindingDB50453353
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
10998Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
10997Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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