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Ligand

NameCHEMBL3604067
Molecular formulaC20H20F3NO4
IUPAC name(3S)-3-ethoxy-3-[6-[[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]pyridin-3-yl]propanoic acid
Molecular weight395.378
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50114090
Inchi KeyAGMMSVUIVBGERN-SJORKVTESA-N
Inchi IDInChI=1S/C20H20F3NO4/c1-2-27-17(10-19(25)26)12-6-9-18(24-11-12)28-16-8-7-13-14(16)4-3-5-15(13)20(21,22)23/h3-6,9,11,16-17H,2,7-8,10H2,1H3,(H,25,26)/t16-,17+/m1/s1
PubChem CID122185452
ChEMBLCHEMBL3604067
IUPHARN/A
BindingDB50114090
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
463493Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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