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Ligand

NameCHEMBL3715192
Molecular formulaC25H28N2O4
IUPAC name9-(2-cyclohexylethynyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight420.509
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL15051230
Inchi KeyGOABXHRYGPVPPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N2O4/c28-25-26-24(31-17-21-16-29-12-13-30-21)15-23-22-9-8-19(14-20(22)10-11-27(23)25)7-6-18-4-2-1-3-5-18/h8-9,14-15,18,21H,1-5,10-13,16-17H2
PubChem CID71616040
ChEMBLCHEMBL3715192
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
524486G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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