Ligand id: 8480

Name: phenylbutyrate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.3
Molecular weight 164.08
XLogP 4.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Gardian G, Browne SE, Choi DK, Klivenyi P, Gregorio J, Kubilus JK, Ryu H, Langley B, Ratan RR, Ferrante RJ et al.. (2005)
Neuroprotective effects of phenylbutyrate in the N171-82Q transgenic mouse model of Huntington's disease.
J. Biol. Chem., 280 (1): 556-63. [PMID:15494404]
2. Iannitti T, Palmieri B. (2011)
Clinical and experimental applications of sodium phenylbutyrate.
Drugs R D, 11 (3): 227-49. [PMID:21902286]
3. Ryu H, Smith K, Camelo SI, Carreras I, Lee J, Iglesias AH, Dangond F, Cormier KA, Cudkowicz ME, Brown Jr RH et al.. (2005)
Sodium phenylbutyrate prolongs survival and regulates expression of anti-apoptotic genes in transgenic amyotrophic lateral sclerosis mice.
J. Neurochem., 93 (5): 1087-98. [PMID:15934930]