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Ligand

NameCHEMBL3718208
Molecular formulaC23H26N2O3
IUPAC name9-(3,3-dimethylbut-1-ynyl)-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight378.472
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL15825820
Inchi KeyBESMJXFTEJVGFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N2O3/c1-23(2,3)10-8-16-6-7-19-17(13-16)9-11-25-20(19)14-21(24-22(25)26)28-15-18-5-4-12-27-18/h6-7,13-14,18H,4-5,9,11-12,15H2,1-3H3
PubChem CID90242114
ChEMBLCHEMBL3718208
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
522099G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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