Ligand id: 8271

Name: arimoclomol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 72
Molecular weight 313.12
XLogP 1.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Benn SC, Brown Jr RH. (2004)
Putting the heat on ALS.
Nat. Med., 10 (4): 345-7. [PMID:15057226]
2. Brown IR. (2007)
Heat shock proteins and protection of the nervous system.
Ann. N. Y. Acad. Sci., 1113: 147-58. [PMID:17656567]
3. Kalmar B, Burnstock G, Vrbová G, Urbanics R, Csermely P, Greensmith L. (2002)
Upregulation of heat shock proteins rescues motoneurones from axotomy-induced cell death in neonatal rats.
Exp. Neurol., 176 (1): 87-97. [PMID:12093085]
4. Kalmar B, Greensmith L. (2009)
Activation of the heat shock response in a primary cellular model of motoneuron neurodegeneration-evidence for neuroprotective and neurotoxic effects.
Cell. Mol. Biol. Lett., 14 (2): 319-35. [PMID:19183864]
5. Kalmar B, Greensmith L, Malcangio M, McMahon SB, Csermely P, Burnstock G. (2003)
The effect of treatment with BRX-220, a co-inducer of heat shock proteins, on sensory fibers of the rat following peripheral nerve injury.
Exp. Neurol., 184 (2): 636-47. [PMID:14769355]
6. Kalmar B, Novoselov S, Gray A, Cheetham ME, Margulis B, Greensmith L. (2008)
Late stage treatment with arimoclomol delays disease progression and prevents protein aggregation in the SOD1 mouse model of ALS.
J. Neurochem., 107 (2): 339-50. [PMID:18673445]
7. Kieran D, Kalmar B, Dick JR, Riddoch-Contreras J, Burnstock G, Greensmith L. (2004)
Treatment with arimoclomol, a coinducer of heat shock proteins, delays disease progression in ALS mice.
Nat. Med., 10 (4): 402-5. [PMID:15034571]