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Ligand

NameCHEMBL3715064
Molecular formulaC22H24N2O4
IUPAC name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(3-methylbut-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight380.444
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.6
SynonymsSCHEMBL15051537
Inchi KeyDOHKQKMAJBATQH-SFHVURJKSA-N
Inchi IDInChI=1S/C22H24N2O4/c1-15(2)3-4-16-5-6-19-17(11-16)7-8-24-20(19)12-21(23-22(24)25)28-14-18-13-26-9-10-27-18/h5-6,11-12,15,18H,7-10,13-14H2,1-2H3/t18-/m0/s1
PubChem CID71616645
ChEMBLCHEMBL3715064
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
523452G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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