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Ligand

NameCHEMBL2170801
Molecular formulaC22H30ClN5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[2-chloro-6-(dicyclopentylmethylamino)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight431.965
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.2
SynonymsN/A
Inchi KeyABFIZLKSVSXUKS-MFVLPEOLSA-N
Inchi IDInChI=1S/C22H30ClN5O2/c23-22-26-20(25-15(11-5-1-2-6-11)12-7-3-4-8-12)16-21(27-22)28(10-24-16)17-13-9-14(13)18(29)19(17)30/h10-15,17-19,29-30H,1-9H2,(H,25,26,27)/t13-,14+,17+,18+,19-/m0/s1
PubChem CID70676458
ChEMBLCHEMBL2170801
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
799Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
798Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441700Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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