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Ligand

NameCHEMBL3125714
Molecular formulaC20H25N5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[6-(cyclopropylamino)-2-hex-1-ynylpurin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight367.453
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.4
SynonymsN/A
Inchi KeyFFXLBWBFFVZMAF-NFIDOXACSA-N
Inchi IDInChI=1S/C20H25N5O2/c1-2-3-4-5-6-14-23-19(22-11-7-8-11)15-20(24-14)25(10-21-15)16-12-9-13(12)17(26)18(16)27/h10-13,16-18,26-27H,2-4,7-9H2,1H3,(H,22,23,24)/t12-,13+,16+,17+,18-/m0/s1
PubChem CID76314563
ChEMBLCHEMBL3125714
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
77495Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
77494Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
77493Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
444744Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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