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Ligand

NameCHEMBL1088665
Molecular formulaC23H24N6O
IUPAC name2-amino-8-[[(4-methylpiperazin-1-yl)amino]methyl]-4-phenylindeno[1,2-d]pyrimidin-5-one
Molecular weight400.486
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50316999
2-amino-8-((4-methylpiperazin-1-ylamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one
Inchi KeyAGRVNXQAHMJVIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N6O/c1-28-9-11-29(12-10-28)25-14-15-7-8-17-18(13-15)21-19(22(17)30)20(26-23(24)27-21)16-5-3-2-4-6-16/h2-8,13,25H,9-12,14H2,1H3,(H2,24,26,27)
PubChem CID46889071
ChEMBLCHEMBL1088665
IUPHARN/A
BindingDB50316999
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
5153Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
5152Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412

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