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Ligand

NameCHEMBL3715086
Molecular formulaC26H26N2O6
IUPAC namemethyl 4-[[4-oxo-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl]oxymethyl]benzoate
Molecular weight462.502
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsSCHEMBL15825357
Inchi KeyHNJNMWYFPRLYNK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N2O6/c1-31-25(29)18-6-4-17(5-7-18)15-33-20-8-9-22-19(13-20)10-11-28-23(22)14-24(27-26(28)30)34-16-21-3-2-12-32-21/h4-9,13-14,21H,2-3,10-12,15-16H2,1H3
PubChem CID76684764
ChEMBLCHEMBL3715086
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
524988G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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