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Ligand

NameCHEMBL3715550
Molecular formulaC28H28N4O4
IUPAC name9-[2-(1-aminocyclohexyl)ethynyl]-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight484.556
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
SynonymsSCHEMBL15826221
Inchi KeyGFTFXBKYEMGXCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28N4O4/c29-28(10-2-1-3-11-28)12-8-19-6-7-22-20(15-19)9-14-32-23(22)16-25(31-27(32)33)34-17-21-18-35-26-24(36-21)5-4-13-30-26/h4-7,13,15-16,21H,1-3,9-11,14,17-18,29H2
PubChem CID90242407
ChEMBLCHEMBL3715550
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
524263G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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