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Ligand

NameCHEMBL3927763
Molecular formulaC28H27F2NO4
IUPAC name2-[4-ethoxy-3-[5-fluoro-2-[3-(4-fluorophenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
Molecular weight479.524
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsUS9255090, 310
BDBM205841
SCHEMBL15056091
Inchi KeyAFOJDKYWEPADOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27F2NO4/c1-2-35-26-11-5-19(16-28(33)34)15-23(26)21-9-10-25(30)22-13-14-31(17-24(21)22)27(32)12-6-18-3-7-20(29)8-4-18/h3-5,7-11,15H,2,6,12-14,16-17H2,1H3,(H,33,34)
PubChem CID89648655
ChEMBLCHEMBL3927763
IUPHARN/A
BindingDB205841
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
517341Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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