GLPG-0974

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: X7REK61AIS

Structure
InChI Key MPMKMQHJHDHPBE-RUZDIDTESA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Free fatty acid receptor 2 antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 11.54
Enzyme
- - - - 11.54
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 0
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - -
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 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 12.95
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - -
Membrane receptor
12.02 9-483 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - - 12.99

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Colitis, Ulcerative 2 D003093 ClinicalTrials

Cross References

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