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Ligand

NameCHEMBL3715514
Molecular formulaC22H24N2O4
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-pent-1-ynyl-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight380.444
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.8
SynonymsSCHEMBL15050843
Inchi KeyBDMWQQBSFVLOPB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H24N2O4/c1-2-3-4-5-16-6-7-19-17(12-16)8-9-24-20(19)13-21(23-22(24)25)28-15-18-14-26-10-11-27-18/h6-7,12-13,18H,2-3,8-11,14-15H2,1H3
PubChem CID89645316
ChEMBLCHEMBL3715514
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
522077G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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