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Ligand

NameCHEMBL2064654
Molecular formulaC28H24ClFN6O3
IUPAC name(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(4-fluorophenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight546.987
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP3.2
SynonymsSCHEMBL10322290
BDBM50389146
Inchi KeyNEGGKGPBEVRNGQ-WANRRHMFSA-N
Inchi IDInChI=1S/C28H24ClFN6O3/c1-31-27(39)28-12-19(28)22(23(37)24(28)38)36-14-33-21-25(32-13-16-3-2-4-17(29)11-16)34-20(35-26(21)36)10-7-15-5-8-18(30)9-6-15/h2-6,8-9,11,14,19,22-24,37-38H,12-13H2,1H3,(H,31,39)(H,32,34,35)/t19-,22-,23+,24+,28+/m1/s1
PubChem CID57523715
ChEMBLCHEMBL2064654
IUPHARN/A
BindingDB50389146
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
221195Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
450398Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
221193Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
221196Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
221194Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
221197Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
450399Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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