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Ligand

NameCHEMBL3718614
Molecular formulaC25H21N3O4
IUPAC name9-(2-cyclopropylethynyl)-2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Molecular weight427.46
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsSCHEMBL15823231
Inchi KeyCTDHVCOIPJADLW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21N3O4/c29-25-27-23(30-14-19-15-31-24-22(32-19)2-1-10-26-24)13-21-20-8-7-17(6-5-16-3-4-16)12-18(20)9-11-28(21)25/h1-2,7-8,10,12-13,16,19H,3-4,9,11,14-15H2
PubChem CID90240336
ChEMBLCHEMBL3718614
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
523002G-protein coupled receptor 84Q9NQS5GPR84Homo sapiens (Human)396

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