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Ligand

NameCHEMBL3716446
Molecular formulaC24H25N3O4
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(2-pyridin-2-ylethyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight419.481
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.3
SynonymsSCHEMBL15050668
Inchi KeyCMMVXNAUFZNASV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N3O4/c28-24-26-23(31-16-20-15-29-11-12-30-20)14-22-21-7-5-17(13-18(21)8-10-27(22)24)4-6-19-3-1-2-9-25-19/h1-3,5,7,9,13-14,20H,4,6,8,10-12,15-16H2
PubChem CID89645206
ChEMBLCHEMBL3716446
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
522849G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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