GSK2256294

Search structure


Synonyms:	Gsk2256294
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	L33EX3XR0T

Structure


InChI Key	LQHDJQIMETZMPH-ZBFHGGJFSA-N
Smile	CNc1nc(C)nc(N[C@H]2CCC[C@@H](C(=O)NCc3ccc(C#N)cc3C(F)(F)F)C2)n1
InChI	InChI=1S/C21H24F3N7O/c1-12-28-19(26-2)31-20(29-12)30-16-5-3-4-14(9-16)18(32)27-11-15-7-6-13(10-25)8-17(15)21(22,23)24/h6-8,14,16H,3-5,9,11H2,1-2H3,(H,27,32)(H2,26,28,29,30,31)/t14-,16+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H24F3N7O
Molecular Weight	447.47
AlogP	3.4
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	115.62
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	32.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Epoxide hydratase inhibitor	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family	-	0-110	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Pulmonary Disease, Chronic Obstructive	1	D029424	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL3818875
FDA SRS	L33EX3XR0T
Guide to Pharmacology	9718
SureChEMBL	SCHEMBL2677671
ZINC	ZINC000167915141

CONTENTS