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Ligand

NameCHEMBL3716889
Molecular formulaC23H28N2O6
IUPAC name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight428.485
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.8
SynonymsSCHEMBL15051438
Inchi KeyFKTFVDHBAYCXFO-GGYWPGCISA-N
Inchi IDInChI=1S/C23H28N2O6/c26-23-24-22(31-15-19-13-27-9-10-29-19)12-21-20-5-4-17(11-16(20)6-7-25(21)23)30-14-18-3-1-2-8-28-18/h4-5,11-12,18-19H,1-3,6-10,13-15H2/t18?,19-/m0/s1
PubChem CID89645669
ChEMBLCHEMBL3716889
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
523885G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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