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Ligand

NameCHEMBL3916780
Molecular formulaC27H24FNO6
IUPAC name2-[5-(5-fluoro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinolin-8-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]acetic acid
Molecular weight477.488
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM205699
SCHEMBL17061212
US9255090, 168
Inchi KeyABWSMUIKDSQQTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24FNO6/c28-23-7-6-19(21-12-18(14-25(30)31)13-24-26(21)34-11-10-33-24)22-15-29(9-8-20(22)23)27(32)35-16-17-4-2-1-3-5-17/h1-7,12-13H,8-11,14-16H2,(H,30,31)
PubChem CID118353186
ChEMBLCHEMBL3916780
IUPHARN/A
BindingDB205699
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517324Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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