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Ligand

NameCHEMBL2112158
Molecular formulaC21H23ClN6O3
IUPAC name(1R,2R,3S,4R,5S)-4-[2-chloro-6-[(2-methylphenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight442.904
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP1.7
SynonymsN/A
Inchi KeyADCGJGKXOPZGPP-YIVQXCEWSA-N
Inchi IDInChI=1S/C21H23ClN6O3/c1-10-5-3-4-6-11(10)8-24-17-13-18(27-20(22)26-17)28(9-25-13)14-12-7-21(12,19(31)23-2)16(30)15(14)29/h3-6,9,12,14-16,29-30H,7-8H2,1-2H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21-/m1/s1
PubChem CID71454439
ChEMBLCHEMBL2112158
IUPHARN/A
BindingDBN/A
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2123Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
2121Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
2122Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441755Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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