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Ligand

NameCHEMBL3975186
Molecular formulaC25H21ClFNO4
IUPAC name2-[4-chloro-2-(5-fluoro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl)phenyl]acetic acid
Molecular weight453.894
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsSCHEMBL15056616
BDBM205947
US9255090, 416
Inchi KeyABXJIOCMAXOXQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21ClFNO4/c26-18-7-6-17(12-24(29)30)21(13-18)19-8-9-23(27)20-10-11-28(14-22(19)20)25(31)32-15-16-4-2-1-3-5-16/h1-9,13H,10-12,14-15H2,(H,29,30)
PubChem CID89649044
ChEMBLCHEMBL3975186
IUPHARN/A
BindingDB205947
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
517325Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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