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Ligand

NameCHEMBL3901887
Molecular formulaC28H27F2NO4
IUPAC name2-[3-ethoxy-4-[5-fluoro-2-[3-(2-fluorophenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
Molecular weight479.524
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsSCHEMBL15056261
BDBM205848
US9255090, 317
Inchi KeyAFGWEMLAKSWTKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27F2NO4/c1-2-35-26-15-18(16-28(33)34)7-9-22(26)20-10-11-25(30)21-13-14-31(17-23(20)21)27(32)12-8-19-5-3-4-6-24(19)29/h3-7,9-11,15H,2,8,12-14,16-17H2,1H3,(H,33,34)
PubChem CID89648772
ChEMBLCHEMBL3901887
IUPHARN/A
BindingDB205848
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
517339Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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