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Ligand

NameCHEMBL3716619
Molecular formulaC24H32N2O5
IUPAC name9-(4,4-dimethylpentoxy)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight428.529
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsSCHEMBL15050903
Inchi KeyBUJAVCYRADIVPH-IBGZPJMESA-N
Inchi IDInChI=1S/C24H32N2O5/c1-24(2,3)8-4-10-29-18-5-6-20-17(13-18)7-9-26-21(20)14-22(25-23(26)27)31-16-19-15-28-11-12-30-19/h5-6,13-14,19H,4,7-12,15-16H2,1-3H3/t19-/m0/s1
PubChem CID89645355
ChEMBLCHEMBL3716619
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
522541G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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