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Ligand

NameCHEMBL3718451
Molecular formulaC27H27N5O4
IUPAC name9-[[6-(1-methylpyrazol-4-yl)pyridin-2-yl]methoxy]-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight485.544
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.3
SynonymsSCHEMBL15826584
CMUZGSPEHQURKQ-UHFFFAOYSA-N
9-[6-(1-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethoxy]-2-(tetrahydro-furan-2-ylmethoxy)-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one
Inchi KeyCMUZGSPEHQURKQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27N5O4/c1-31-15-19(14-28-31)24-6-2-4-20(29-24)16-35-21-7-8-23-18(12-21)9-10-32-25(23)13-26(30-27(32)33)36-17-22-5-3-11-34-22/h2,4,6-8,12-15,22H,3,5,9-11,16-17H2,1H3
PubChem CID76684666
ChEMBLCHEMBL3718451
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
522853G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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