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Ligand

NameCHEMBL3716270
Molecular formulaC25H23N3O4
IUPAC name3-[[4-oxo-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl]oxymethyl]benzonitrile
Molecular weight429.476
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL15839379
Inchi KeyDUXOFHMFDDPNNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23N3O4/c26-14-17-3-1-4-18(11-17)15-31-20-6-7-22-19(12-20)8-9-28-23(22)13-24(27-25(28)29)32-16-21-5-2-10-30-21/h1,3-4,6-7,11-13,21H,2,5,8-10,15-16H2
PubChem CID76684760
ChEMBLCHEMBL3716270
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
523578G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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