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Ligand

NameCHEMBL3956812
Molecular formulaC27H27FN2O4
IUPAC name2-[3-[5-fluoro-2-(3-pyridin-2-ylbutanoyl)-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
Molecular weight462.521
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsUS9255090, 265
BDBM205796
SCHEMBL15056359
Inchi KeyAMXXWGMHGKSBEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H27FN2O4/c1-17(24-5-3-4-11-29-24)13-26(31)30-12-10-20-22(16-30)19(7-8-23(20)28)21-14-18(15-27(32)33)6-9-25(21)34-2/h3-9,11,14,17H,10,12-13,15-16H2,1-2H3,(H,32,33)
PubChem CID89648846
ChEMBLCHEMBL3956812
IUPHARN/A
BindingDB205796
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
536233Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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