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Ligand

NameCHEMBL3719012
Molecular formulaC26H28N4O4
IUPAC name2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(piperidin-1-ylmethyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight460.534
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsSCHEMBL15825232
Inchi KeyAKJPKCGFAYBANE-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N4O4/c31-26-28-24(32-16-20-17-33-25-23(34-20)5-4-9-27-25)14-22-21-7-6-18(13-19(21)8-12-30(22)26)15-29-10-2-1-3-11-29/h4-7,9,13-14,20H,1-3,8,10-12,15-17H2
PubChem CID90241703
ChEMBLCHEMBL3719012
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
521665G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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