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Ligand

NameCHEMBL259479
Molecular formulaC31H33ClN6O4S
IUPAC name6-[4-[1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]oxyphenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Molecular weight621.153
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50375415
Inchi KeyAIVHUDXQWUQKOR-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33ClN6O4S/c1-5-12-38-24-18-23(33-26(24)27(39)35(4)30(38)41)19-6-9-21(10-7-19)42-31(2,3)28(40)36-13-15-37(16-14-36)29-34-22-11-8-20(32)17-25(22)43-29/h6-11,17-18,33H,5,12-16H2,1-4H3
PubChem CID44451166
ChEMBLCHEMBL259479
IUPHARN/A
BindingDB50375415
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6553Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
6552Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332

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