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Ligand

NameCHEMBL3944545
Molecular formulaC31H33FN2O5
IUPAC name2-[3-[2-[2-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl)acetyl]-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl]-4-ethoxyphenyl]acetic acid
Molecular weight532.612
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM205815
SCHEMBL17061147
US9255090, 284
Inchi KeyAUFMTNAXLSGVAW-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33FN2O5/c1-4-38-27-10-7-19(15-29(36)37)14-24(27)22-8-9-26(32)23-11-13-34(18-25(22)23)28(35)16-20-17-31(2,3)39-30-21(20)6-5-12-33-30/h5-10,12,14,20H,4,11,13,15-18H2,1-3H3,(H,36,37)
PubChem CID118353141
ChEMBLCHEMBL3944545
IUPHARN/A
BindingDB205815
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536367Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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