Ligand id: 2605

Name: E4031

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.75
Molecular weight 401.18
XLogP 3.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gessner G, Heinemann SH. (2003)
Inhibition of hEAG1 and hERG1 potassium channels by clofilium and its tertiary analogue LY97241.
Br. J. Pharmacol., 138 (1): 161-71. [PMID:12522086]
2. Shi W, Wymore RS, Wang HS, Pan Z, Cohen IS, McKinnon D, Dixon JE. (1997)
Identification of two nervous system-specific members of the erg potassium channel gene family.
J. Neurosci., 17 (24): 9423-32. [PMID:9390998]
3. Zhou Z, Gong Q, Ye B, Fan Z, Makielski JC, Robertson GA, January CT. (1998)
Properties of HERG channels stably expressed in HEK 293 cells studied at physiological temperature.
Biophys. J., 74 (1): 230-41. [PMID:9449325]