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Ligand

NameCHEMBL3719155
Molecular formulaC22H24N2O5
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(3-hydroxy-3-methylbut-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight396.443
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.2
SynonymsSCHEMBL15050689
Inchi KeyDJLCKRYRNSUXLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O5/c1-22(2,26)7-5-15-3-4-18-16(11-15)6-8-24-19(18)12-20(23-21(24)25)29-14-17-13-27-9-10-28-17/h3-4,11-12,17,26H,6,8-10,13-14H2,1-2H3
PubChem CID71617447
ChEMBLCHEMBL3719155
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
523330G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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