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Ligand

NameCHEMBL3715265
Molecular formulaC22H28N2O5
IUPAC name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(3-hydroxypentyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight400.475
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
SynonymsSCHEMBL15051551
Inchi KeyARXUTZULCOVLEU-ZVAWYAOSSA-N
Inchi IDInChI=1S/C22H28N2O5/c1-2-17(25)5-3-15-4-6-19-16(11-15)7-8-24-20(19)12-21(23-22(24)26)29-14-18-13-27-9-10-28-18/h4,6,11-12,17-18,25H,2-3,5,7-10,13-14H2,1H3/t17?,18-/m0/s1
PubChem CID89645726
ChEMBLCHEMBL3715265
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
521834G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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