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Ligand

NameCHEMBL456125
Molecular formulaC26H27BrN4O5
IUPAC nameN-(4-bromophenyl)-2-[4-(7-hydroxy-2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
Molecular weight555.429
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.6
SynonymsBDBM50273311
N-(4-bromophenyl)-2-(4-(7-hydroxy-2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide
Inchi KeyIDZLUCZVCCNUTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27BrN4O5/c1-3-13-30-23-22(25(34)31(14-4-2)26(30)35)29-21(24(23)33)16-5-11-19(12-6-16)36-15-20(32)28-18-9-7-17(27)8-10-18/h5-12,29,33H,3-4,13-15H2,1-2H3,(H,28,32)
PubChem CID44587956
ChEMBLCHEMBL456125
IUPHARN/A
BindingDB50273311
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
130954Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
130952Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
130956Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
130953Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
130957Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
130955Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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