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Ligand

NameCHEMBL2064660
Molecular formulaC34H29ClN6O3
IUPAC name(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(4-phenylphenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight605.095
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP4.7
SynonymsBDBM50389150
MRS-5679
SCHEMBL10322316
Inchi KeyXMUDTSDEEPCGFL-HDFRBTCWSA-N
Inchi IDInChI=1S/C34H29ClN6O3/c1-36-33(44)34-17-25(34)28(29(42)30(34)43)41-19-38-27-31(37-18-21-6-5-9-24(35)16-21)39-26(40-32(27)41)15-12-20-10-13-23(14-11-20)22-7-3-2-4-8-22/h2-11,13-14,16,19,25,28-30,42-43H,17-18H2,1H3,(H,36,44)(H,37,39,40)/t25-,28-,29+,30+,34+/m1/s1
PubChem CID57523251
ChEMBLCHEMBL2064660
IUPHARN/A
BindingDB50389150
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
395903Adenosine receptor A1Q60612Adora1Mus musculus (Mouse)326
457430Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
395904Adenosine receptor A2aQ60613Adora2aMus musculus (Mouse)410
457431Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
395905Adenosine receptor A3Q61618Adora3Mus musculus (Mouse)319
457429Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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