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Ligand

NameCHEMBL201496
Molecular formulaC25H23N5O4
IUPAC nameN-(4-cyanophenyl)-2-[4-(1,3-diethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
Molecular weight457.49
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50410773
SCHEMBL6504648
Inchi KeyAJVYKTWTYTZZBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N5O4/c1-3-29-21-13-20(28-23(21)24(32)30(4-2)25(29)33)17-7-11-19(12-8-17)34-15-22(31)27-18-9-5-16(14-26)6-10-18/h5-13,28H,3-4,15H2,1-2H3,(H,27,31)
PubChem CID11525368
ChEMBLCHEMBL201496
IUPHARN/A
BindingDB50410773
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7282Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
7281Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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