OMIDENEPAG ISOPROPYL

Search structure


Synonyms:	De-117 DE-117 Omidenepag isopropyl
Status:	Phase 3
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	G0G0H52U6K

Structure


InChI Key	VIQCWEGEHRBLAC-UHFFFAOYSA-N
Smile	CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1
InChI	InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H28N6O4S
Molecular Weight	520.62
AlogP	3.42
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	119.31
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	37.0

Pharmacology

Action	Mechanism of Action	Reference
AGONIST	Prostanoid EP2 receptor agonist	KEGG PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor	-	4180	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL4297666
DrugBank	DB15071
DrugCentral	5312
FDA SRS	G0G0H52U6K
PubChem	44230999
SureChEMBL	SCHEMBL15414827

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