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Ligand

NameCHEMBL3716528
Molecular formulaC24H32N2O5
IUPAC name2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(3-methoxy-4-methylpentyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight428.529
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.9
SynonymsSCHEMBL15050972
Inchi KeyFRYSOWASMQOUDH-YDNXMHBPSA-N
Inchi IDInChI=1S/C24H32N2O5/c1-16(2)22(28-3)7-5-17-4-6-20-18(12-17)8-9-26-21(20)13-23(25-24(26)27)31-15-19-14-29-10-11-30-19/h4,6,12-13,16,19,22H,5,7-11,14-15H2,1-3H3/t19-,22?/m0/s1
PubChem CID89645393
ChEMBLCHEMBL3716528
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
524022G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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