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Ligand

NameCHEMBL2381280
Molecular formulaC25H19F3O5
IUPAC name2-[(8S)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl]acetic acid
Molecular weight456.417
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50433719
Inchi KeyAIBXCIUCHSLECL-ADRQNKRLSA-N
Inchi IDInChI=1S/C25H19F3O5/c26-25(27,28)19-7-2-1-6-17(19)14-4-3-5-15(8-14)23-13-32-21-10-18-16(9-24(29)30)12-31-20(18)11-22(21)33-23/h1-8,10-11,16,23H,9,12-13H2,(H,29,30)/t16-,23?/m1/s1
PubChem CID71612682
ChEMBLCHEMBL2381280
IUPHARN/A
BindingDB50433719
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
6093Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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