Ligand id: 9537

Name: atracurium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 26
Topological polar surface area 126.44
Molecular weight 928.51
XLogP 6.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Basta SJ, Ali HH, Savarese JJ, Sunder N, Gionfriddo M, Cloutier G, Lineberry C, Cato AE. (1982)
Clinical pharmacology of atracurium besylate (BW 33A): a new non-depolarizing muscle relaxant.
Anesth. Analg., 61 (9): 723-9. [PMID:6213181]
2. Fanelli V, Morita Y, Cappello P, Ghazarian M, Sugumar B, Delsedime L, Batt J, Ranieri VM, Zhang H, Slutsky AS. (2016)
Neuromuscular Blocking Agent Cisatracurium Attenuates Lung Injury by Inhibition of Nicotinic Acetylcholine Receptor-α1.
Anesthesiology, 124 (1): 132-40. [PMID:26540149]
3. Jonsson M, Gurley D, Dabrowski M, Larsson O, Johnson EC, Eriksson LI. (2006)
Distinct pharmacologic properties of neuromuscular blocking agents on human neuronal nicotinic acetylcholine receptors: a possible explanation for the train-of-four fade.
Anesthesiology, 105 (3): 521-33. [PMID:16931985]