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Ligand

NameCHEMBL3800106
Molecular formulaC29H25N5O4
IUPAC name(1S,2R,3S,4R,5S)-2,3-dihydroxy-4-[6-[(Z)-2-hydroxy-2-phenylethenyl]-2-(2-phenylethynyl)purin-9-yl]-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight507.55
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.4
SynonymsBDBM50163871
Inchi KeyXDLLKPFLFMZRNM-ONFWOEHCSA-N
Inchi IDInChI=1S/C29H25N5O4/c1-30-28(38)29-15-19(29)24(25(36)26(29)37)34-16-31-23-20(14-21(35)18-10-6-3-7-11-18)32-22(33-27(23)34)13-12-17-8-4-2-5-9-17/h2-11,14,16,19,24-26,35-37H,15H2,1H3,(H,30,38)/b21-14-/t19-,24-,25+,26+,29+/m1/s1
PubChem CID136048802
ChEMBLCHEMBL3800106
IUPHARN/A
BindingDB50163871
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
569368Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
569369Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
569367Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319

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