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Ligand

NameCHEMBL2064639
Molecular formulaC22H21FN6O3
IUPAC name(1S,2R,3S,4R,5S)-4-[2-[2-(4-fluorophenyl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight436.447
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.1
SynonymsBDBM50389134
SCHEMBL10322205
Inchi KeyBOPCWLMOUKGQSO-QKWCYAJMSA-N
Inchi IDInChI=1S/C22H21FN6O3/c1-24-19-15-20(28-14(27-19)8-5-11-3-6-12(23)7-4-11)29(10-26-15)16-13-9-22(13,21(32)25-2)18(31)17(16)30/h3-4,6-7,10,13,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t13-,16-,17+,18+,22+/m1/s1
PubChem CID57523653
ChEMBLCHEMBL2064639
IUPHARN/A
BindingDB50389134
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29003Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
442800Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
29002Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
442798Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
29001Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
442799Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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