GSK2256294

Search structure
Synonyms:
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
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- 0.027-110 - 24 -
Enzyme Transferase
- - - - 17.7-17.83
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -6.75-0.52

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