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Ligand

NameCHEMBL3717676
Molecular formulaC24H20N4O6
IUPAC name2-[[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methoxy]-9-(1,3-oxazol-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight460.446
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.2
SynonymsSCHEMBL15825849
Inchi KeyHHTNGPVJFZDSCC-QGZVFWFLSA-N
Inchi IDInChI=1S/C24H20N4O6/c29-24-27-21(32-12-17-13-33-23-20(34-17)2-1-6-26-23)11-19-18-4-3-16(10-15(18)5-8-28(19)24)31-14-22-25-7-9-30-22/h1-4,6-7,9-11,17H,5,8,12-14H2/t17-/m1/s1
PubChem CID90242132
ChEMBLCHEMBL3717676
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
524849G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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