Ligand id: 8746

Name: ajmalicine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 54.56
Molecular weight 352.18
XLogP 3.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Roquebert J, Demichel P. (1984)
Inhibition of the alpha 1 and alpha 2-adrenoceptor-mediated pressor response in pithed rats by raubasine, tetrahydroalstonine and akuammigine.
Eur. J. Pharmacol., 106 (1): 203-5. [PMID:6099269]
2. Strobl GR, von Kruedener S, Stöckigt J, Guengerich FP, Wolff T. (1993)
Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies.
J. Med. Chem., 36 (9): 1136-45. [PMID:8487254]