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Ligand

NameCHEMBL3953289
Molecular formulaC20H23F3N2O2S
IUPAC name2-[3-[3-cyano-5-(trifluoromethylsulfanyl)phenyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
Molecular weight412.471
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.8
SynonymsSCHEMBL16483019
BDBM50208093
Inchi KeyDXIACLRPBPXBLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23F3N2O2S/c21-20(22,23)28-17-10-15(13-24)9-16(12-17)25-7-5-19(6-8-25)3-1-14(2-4-19)11-18(26)27/h9-10,12,14H,1-8,11H2,(H,26,27)
PubChem CID73777135
ChEMBLCHEMBL3953289
IUPHARN/A
BindingDB50208093
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
537733Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300
537731Free fatty acid receptor 4Q7TMA4Ffar4Mus musculus (Mouse)361
537732Free fatty acid receptor 4Q5NUL3FFAR4Homo sapiens (Human)377

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