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Ligand

NameCHEMBL3716166
Molecular formulaC27H28N2O7
IUPAC nametert-butyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl]oxy]acetate
Molecular weight492.528
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL15824145
Inchi KeyGWTXJMQUMPLBNA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H28N2O7/c1-27(2,3)36-25(30)16-32-18-8-9-20-17(12-18)10-11-29-21(20)13-24(28-26(29)31)34-15-19-14-33-22-6-4-5-7-23(22)35-19/h4-9,12-13,19H,10-11,14-16H2,1-3H3
PubChem CID76684889
ChEMBLCHEMBL3716166
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
524645G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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