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Ligand

NameCHEMBL3717415
Molecular formulaC21H22N2O5
IUPAC name2-(1,4-dioxan-2-ylmethoxy)-9-(3-hydroxybut-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight382.416
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.0
SynonymsSCHEMBL15051009
Inchi KeyFMUHXPKLGMHDNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O5/c1-14(24)2-3-15-4-5-18-16(10-15)6-7-23-19(18)11-20(22-21(23)25)28-13-17-12-26-8-9-27-17/h4-5,10-11,14,17,24H,6-9,12-13H2,1H3
PubChem CID89645412
ChEMBLCHEMBL3717415
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
523928G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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