GLPG-0974

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Synonyms:	Glpg-0974 Glpg0974 GLPG0974
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	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	9-483	-	-	-

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

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