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Ligand

NameCHEMBL3904360
Molecular formulaC28H26FNO5
IUPAC name2-[3-[2-(3,4-dihydro-2H-chromene-4-carbonyl)-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
Molecular weight475.516
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL15056462
BDBM205803
US9255090, 272
Inchi KeyACKUAISWFUWYKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26FNO5/c1-34-25-9-6-17(15-27(31)32)14-22(25)18-7-8-24(29)19-10-12-30(16-23(18)19)28(33)21-11-13-35-26-5-3-2-4-20(21)26/h2-9,14,21H,10-13,15-16H2,1H3,(H,31,32)
PubChem CID89648921
ChEMBLCHEMBL3904360
IUPHARN/A
BindingDB205803
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
535960Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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