Ligand id: 2523

Name: nimodipine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 117
Molecular weight 418.17
XLogP 4.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dietz JD, Du S, Bolten CW, Payne MA, Xia C, Blinn JR, Funder JW, Hu X. (2008)
A number of marketed dihydropyridine calcium channel blockers have mineralocorticoid receptor antagonist activity.
Hypertension, 51 (3): 742-8. [PMID:18250364]
2. Safa P, Boulter J, Hales TG. (2001)
Functional properties of Cav1.3 (alpha1D) L-type Ca2+ channel splice variants expressed by rat brain and neuroendocrine GH3 cells.
J. Biol. Chem., 276 (42): 38727-37. [PMID:11514547]
3. Verkman AS, Galietta LJ. (2009)
Chloride channels as drug targets.
Nat Rev Drug Discov, 8 (2): 153-71. [PMID:19153558]
4. Xu W, Lipscombe D. (2001)
Neuronal Ca(V)1.3alpha(1) L-type channels activate at relatively hyperpolarized membrane potentials and are incompletely inhibited by dihydropyridines.
J. Neurosci., 21 (16): 5944-51. [PMID:11487617]