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Ligand

NameCHEMBL3718393
Molecular formulaC22H28N2O5
IUPAC name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(3-hydroxy-3-methylbutyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight400.475
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.6
SynonymsSCHEMBL15051583
Inchi KeyFUQAHVVPRZZLSA-KRWDZBQOSA-N
Inchi IDInChI=1S/C22H28N2O5/c1-22(2,26)7-5-15-3-4-18-16(11-15)6-8-24-19(18)12-20(23-21(24)25)29-14-17-13-27-9-10-28-17/h3-4,11-12,17,26H,5-10,13-14H2,1-2H3/t17-/m0/s1
PubChem CID89645749
ChEMBLCHEMBL3718393
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
524061G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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