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Ligand

NameCHEMBL3714785
Molecular formulaC23H30N2O5
IUPAC name9-(2,2-dimethylpropoxymethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight414.502
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
SynonymsSCHEMBL15051512
Inchi KeyDFIYXVFBAYHFHF-SFHVURJKSA-N
Inchi IDInChI=1S/C23H30N2O5/c1-23(2,3)15-28-12-16-4-5-19-17(10-16)6-7-25-20(19)11-21(24-22(25)26)30-14-18-13-27-8-9-29-18/h4-5,10-11,18H,6-9,12-15H2,1-3H3/t18-/m0/s1
PubChem CID89645705
ChEMBLCHEMBL3714785
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
523257G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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