GLPG-0974

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Synonyms
Status
Molecule Category Free-form
UNII X7REK61AIS

Structure

InChI Key MPMKMQHJHDHPBE-RUZDIDTESA-N
Smiles C[C@]1(C(=O)N(CCCC(=O)O)Cc2cccc(Cl)c2)CCN1C(=O)c1csc2ccccc12
InChI
InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25ClN2O4S
Molecular Weight 485.01
AlogP 5.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 77.92
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Free fatty acid receptor 2 antagonist ANTAGONIST PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 0
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Free fatty acid receptor
12.02 9-483 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
12.02 9-483 - - 0

Target Conservation

Protein: Free fatty acid receptor 2
Description: Free fatty acid receptor 2
Organism : Homo sapiens
O15552 ENSG00000126262

Cross References

Resources Reference
ChEMBL CHEMBL3353541
DrugBank DB15406
FDA SRS X7REK61AIS
Guide to Pharmacology 8417
PubChem 57520598
SureChEMBL SCHEMBL11298599
ZINC ZINC000200856271
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