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Ligand

NameCHEMBL3954140
Molecular formulaC18H23F3N2O2
IUPAC name2-[3-[4-(trifluoromethyl)pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
Molecular weight356.389
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50208108
SCHEMBL16482947
Inchi KeyGCHINJJAFUYXMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-8-22-15(12-14)23-9-6-17(7-10-23)4-1-13(2-5-17)11-16(24)25/h3,8,12-13H,1-2,4-7,9-11H2,(H,24,25)
PubChem CID73777174
ChEMBLCHEMBL3954140
IUPHARN/A
BindingDB50208108
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538302Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
538300Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361
538301Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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