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Ligand

NameCHEMBL233163
Molecular formulaC25H19F2NO2
IUPAC name(3aR,4R,9aS)-5-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
SynonymsBDBM50212446
(3aR,4R,9aS,E)-5-fluoro-4-(2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
Inchi KeyBNNQIOVCRPIUNS-WFAGITPTSA-N
Inchi IDInChI=1S/C25H19F2NO2/c26-18-5-1-3-15(11-18)17-7-8-19(28-13-17)9-10-20-22-14-30-25(29)21(22)12-16-4-2-6-23(27)24(16)20/h1-11,13,20-22H,12,14H2/b10-9+/t20-,21+,22-/m1/s1
PubChem CID44432806
ChEMBLCHEMBL233163
IUPHARN/A
BindingDB50212446
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
28274Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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