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Ligand

NameCHEMBL269006
Molecular formulaC25H19F2NO2
IUPAC name(3aR,4R,9aS)-6-fluoro-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight403.429
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50212430
(3aR,4R,9aS,E)-6-fluoro-4-(2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
Inchi KeyBEWNXUIFEFYIAT-TVUVQBGUSA-N
Inchi IDInChI=1S/C25H19F2NO2/c26-18-3-1-2-15(10-18)17-5-7-20(28-13-17)8-9-21-22-12-19(27)6-4-16(22)11-23-24(21)14-30-25(23)29/h1-10,12-13,21,23-24H,11,14H2/b9-8+/t21-,23-,24+/m0/s1
PubChem CID44432790
ChEMBLCHEMBL269006
IUPHARN/A
BindingDB50212430
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
21995Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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