Ligand id: 7917

Name: ESI-09

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 91.28
Molecular weight 330.09
XLogP 5.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Almahariq M, Tsalkova T, Mei FC, Chen H, Zhou J, Sastry SK, Schwede F, Cheng X. (2013)
A novel EPAC-specific inhibitor suppresses pancreatic cancer cell migration and invasion.
Mol. Pharmacol., 83 (1): 122-8. [PMID:23066090]
2. Chen H, Wild C, Zhou X, Ye N, Cheng X, Zhou J. (2014)
Recent advances in the discovery of small molecules targeting exchange proteins directly activated by cAMP (EPAC).
J. Med. Chem., 57 (9): 3651-65. [PMID:24256330]
3. Tsalkova T, Mei FC, Li S, Chepurny OG, Leech CA, Liu T, Holz GG, Woods Jr VL, Cheng X. (2012)
Isoform-specific antagonists of exchange proteins directly activated by cAMP.
Proc. Natl. Acad. Sci. U.S.A., 109 (45): 18613-8. [PMID:23091014]