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Ligand

NameCHEMBL3930697
Molecular formulaC25H25FN2O5S
IUPAC name2-[3-[5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxycarbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
Molecular weight484.542
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM205684
SCHEMBL15056818
US9255090, 153
Inchi KeyARVVNDAOVSFXKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25FN2O5S/c1-15-23(34-14-27-15)8-10-33-25(31)28-9-7-18-20(13-28)17(4-5-21(18)26)19-11-16(12-24(29)30)3-6-22(19)32-2/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,29,30)
PubChem CID89649200
ChEMBLCHEMBL3930697
IUPHARN/A
BindingDB205684
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
517386Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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