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Ligand

NameCHEMBL3715055
Molecular formulaC25H27N3O5
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(3-hydroxy-3-pyridin-3-ylpropyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight449.507
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
SynonymsSCHEMBL15051415
Inchi KeyDKAOVRWVJAWHND-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O5/c29-23(19-2-1-8-26-14-19)6-4-17-3-5-21-18(12-17)7-9-28-22(21)13-24(27-25(28)30)33-16-20-15-31-10-11-32-20/h1-3,5,8,12-14,20,23,29H,4,6-7,9-11,15-16H2
PubChem CID89645653
ChEMBLCHEMBL3715055
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
523349G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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