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Ligand

NameCHEMBL3715009
Molecular formulaC27H25N3O5
IUPAC name4-[2-[2-(1,4-dioxan-2-ylmethoxy)-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl]ethynyl]-N-methylbenzamide
Molecular weight471.513
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsN/A
Inchi KeyHLBJXLKGQQTFQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25N3O5/c1-28-26(31)20-7-4-18(5-8-20)2-3-19-6-9-23-21(14-19)10-11-30-24(23)15-25(29-27(30)32)35-17-22-16-33-12-13-34-22/h4-9,14-15,22H,10-13,16-17H2,1H3,(H,28,31)
PubChem CID127024072
ChEMBLCHEMBL3715009
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
524933G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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