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Ligand

NameCHEMBL3718169
Molecular formulaC29H27N5O5
IUPAC name2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(6-morpholin-4-ylpyridin-3-yl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight525.565
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.9
SynonymsSCHEMBL15839417
Inchi KeyCKBWKEMEJCZSSX-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H27N5O5/c35-29-32-27(37-17-22-18-38-28-25(39-22)2-1-8-30-28)15-24-23-5-3-19(14-20(23)7-9-34(24)29)21-4-6-26(31-16-21)33-10-12-36-13-11-33/h1-6,8,14-16,22H,7,9-13,17-18H2
PubChem CID90253118
ChEMBLCHEMBL3718169
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
522804G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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