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Ligand

NameCHEMBL3717958
Molecular formulaC25H23N3O5
IUPAC name2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(3,6-dihydro-2H-pyran-4-yl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight445.475
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.3
SynonymsSCHEMBL15823107
Inchi KeyAXSHFHKCFCFLPP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N3O5/c29-25-27-23(31-14-19-15-32-24-22(33-19)2-1-8-26-24)13-21-20-4-3-17(16-6-10-30-11-7-16)12-18(20)5-9-28(21)25/h1-4,6,8,12-13,19H,5,7,9-11,14-15H2
PubChem CID90240227
ChEMBLCHEMBL3717958
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
521976G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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