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Ligand

NameCHEMBL3718852
Molecular formulaC24H31N3O4
IUPAC name9-[cyclohexyl(methyl)amino]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight425.529
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
SynonymsSCHEMBL15051399
Inchi KeyDJFFTHUKYSGWTP-FQEVSTJZSA-N
Inchi IDInChI=1S/C24H31N3O4/c1-26(18-5-3-2-4-6-18)19-7-8-21-17(13-19)9-10-27-22(21)14-23(25-24(27)28)31-16-20-15-29-11-12-30-20/h7-8,13-14,18,20H,2-6,9-12,15-16H2,1H3/t20-/m0/s1
PubChem CID89645640
ChEMBLCHEMBL3718852
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
523326G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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