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Ligand

NameCHEMBL220386
Molecular formulaC21H21FN6O5
IUPAC name(2S,3S,4R,5R)-N-ethyl-5-[2-[2-(4-fluorophenyl)ethynyl]-6-(methoxyamino)purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight456.434
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50205720
2-[(4-fuorophenyl)ethynyl]-N6-methoxy-5''-N-ethylcarboxamidoadenosine
Inchi KeyAHXLSRFNPIOZKZ-GRXQJBFDSA-N
Inchi IDInChI=1S/C21H21FN6O5/c1-3-23-20(31)17-15(29)16(30)21(33-17)28-10-24-14-18(27-32-2)25-13(26-19(14)28)9-6-11-4-7-12(22)8-5-11/h4-5,7-8,10,15-17,21,29-30H,3H2,1-2H3,(H,23,31)(H,25,26,27)/t15-,16+,17-,21+/m0/s1
PubChem CID16115750
ChEMBLCHEMBL220386
IUPHARN/A
BindingDB50205720
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
5958Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
5957Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441922Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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