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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3718828
Molecular formulaC23H28N2O6
IUPAC name2-[[(2R)-1,4-dioxan-2-yl]methoxy]-9-(oxan-4-yloxymethyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight428.485
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.1
SynonymsSCHEMBL15051540
Inchi KeyCLGGBTXQLRICFB-LJQANCHMSA-N
Inchi IDInChI=1S/C23H28N2O6/c26-23-24-22(31-15-19-14-28-9-10-29-19)12-21-20-2-1-16(11-17(20)3-6-25(21)23)13-30-18-4-7-27-8-5-18/h1-2,11-12,18-19H,3-10,13-15H2/t19-/m1/s1
PubChem CID71616755
ChEMBLCHEMBL3718828
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
522826G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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