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Ligand

NameCHEMBL3717936
Molecular formulaC21H22N2O5
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(4-hydroxybut-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight382.416
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.0
SynonymsSCHEMBL15051017
Inchi KeyGITIKJVOXNTBIV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O5/c24-8-2-1-3-15-4-5-18-16(11-15)6-7-23-19(18)12-20(22-21(23)25)28-14-17-13-26-9-10-27-17/h4-5,11-12,17,24H,2,6-10,13-14H2
PubChem CID71617317
ChEMBLCHEMBL3717936
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
524383G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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