Ligand id: 2603

Name: astemizole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 42.32
Molecular weight 458.25
XLogP 6.61
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cao Q, Wang X, Zhao M, Yang R, Malik R, Qiao Y, Poliakov A, Yocum AK, Li Y, Chen W et al.. (2014)
The central role of EED in the orchestration of polycomb group complexes.
Nat Commun, 5: 3127. [PMID:24457600]
2. García-Ferreiro RE, Kerschensteiner D, Major F, Monje F, Stühmer W, Pardo LA. (2004)
Mechanism of block of hEag1 K+ channels by imipramine and astemizole.
J. Gen. Physiol., 124 (4): 301-17. [PMID:15365094]
3. Kong X, Chen L, Jiao L, Jiang X, Lian F, Lu J, Zhu K, Du D, Liu J, Ding H et al.. (2014)
Astemizole arrests the proliferation of cancer cells by disrupting the EZH2-EED interaction of polycomb repressive complex 2.
J. Med. Chem., 57 (22): 9512-21. [PMID:25369470]
4. Pearlstein R, Vaz R, Rampe D. (2003)
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior.
J. Med. Chem., 46 (11): 2017-22. [PMID:12747773]
5. Zhou Z, Vorperian VR, Gong Q, Zhang S, January CT. (1999)
Block of HERG potassium channels by the antihistamine astemizole and its metabolites desmethylastemizole and norastemizole.
J. Cardiovasc. Electrophysiol., 10 (6): 836-43. [PMID:10376921]