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Ligand

NameCHEMBL3717155
Molecular formulaC27H21N5O4
IUPAC name2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(1H-indazol-5-yl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight479.496
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL15826134
Inchi KeyHEXYFVGJHCTQST-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H21N5O4/c33-27-30-25(34-14-20-15-35-26-24(36-20)2-1-8-28-26)12-23-21-5-3-16(10-18(21)7-9-32(23)27)17-4-6-22-19(11-17)13-29-31-22/h1-6,8,10-13,20H,7,9,14-15H2,(H,29,31)
PubChem CID76685021
ChEMBLCHEMBL3717155
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
524783G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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