Ligand id: 9362

Name: AZD7545

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 112.16
Molecular weight 478.06
XLogP 2.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Mayers RM, Butlin RJ, Kilgour E, Leighton B, Martin D, Myatt J, Orme JP, Holloway BR. (2003)
AZD7545, a novel inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2), activates pyruvate dehydrogenase in vivo and improves blood glucose control in obese (fa/fa) Zucker rats.
Biochem Soc Trans, 31: 1165-7. [PMID:14641018]
2. Morrell JA, Orme J, Butlin RJ, Roche TE, Mayers RM, Kilgour E. (2003)
AZD7545 is a selective inhibitor of pyruvate dehydrogenase kinase 2.
Biochem Soc Trans, 31: 1168-70. [PMID:14641019]