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Ligand

NameCHEMBL3125715
Molecular formulaC22H29N5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[6-(cyclopentylamino)-2-hex-1-ynylpurin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight395.507
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.1
SynonymsN/A
Inchi KeyAFXYKJQZGOIMFM-VNEALKQTSA-N
Inchi IDInChI=1S/C22H29N5O2/c1-2-3-4-5-10-16-25-21(24-13-8-6-7-9-13)17-22(26-16)27(12-23-17)18-14-11-15(14)19(28)20(18)29/h12-15,18-20,28-29H,2-4,6-9,11H2,1H3,(H,24,25,26)/t14-,15+,18+,19+,20-/m0/s1
PubChem CID76332686
ChEMBLCHEMBL3125715
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
4604Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
441888Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4603Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
441889Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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