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Ligand

NameCHEMBL3715645
Molecular formulaC27H27N5O6
IUPAC name9-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methoxy]-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight517.542
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.7
SynonymsSCHEMBL15825939
Inchi KeyALLXIFZVURXORY-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N5O6/c1-27(2,3)25-29-22(31-38-25)15-34-17-6-7-19-16(11-17)8-10-32-20(19)12-23(30-26(32)33)35-13-18-14-36-24-21(37-18)5-4-9-28-24/h4-7,9,11-12,18H,8,10,13-15H2,1-3H3
PubChem CID90242191
ChEMBLCHEMBL3715645
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
521676G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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