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Ligand

NameCHEMBL3715870
Molecular formulaC25H35N3O4
IUPAC name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(2-ethylhexylamino)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight441.572
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsSCHEMBL15051155
Inchi KeyALSNCWKOUFIJHW-ZYZRXSCRSA-N
Inchi IDInChI=1S/C25H35N3O4/c1-3-5-6-18(4-2)15-26-20-7-8-22-19(13-20)9-10-28-23(22)14-24(27-25(28)29)32-17-21-16-30-11-12-31-21/h7-8,13-14,18,21,26H,3-6,9-12,15-17H2,1-2H3/t18?,21-/m0/s1
PubChem CID71616865
ChEMBLCHEMBL3715870
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
521679G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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