compound 30 [PMID: 22902653]

Ligand id: 8118

Name: compound 30 [PMID: 22902653]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 143.05
Molecular weight 503.21
XLogP 4.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Arber S, Barbayannis FA, Hanser H, Schneider C, Stanyon CA, Bernard O, Caroni P. (1998)
Regulation of actin dynamics through phosphorylation of cofilin by LIM-kinase.
Nature, 393 (6687): 805-9. [PMID:9655397]
2. He L, Seitz SP, Trainor GL, Tortolani D, Vaccaro W, Poss M, Tarby CM, Tokarski JS, Penhallow B, Hung CY et al.. (2012)
Modulation of cofilin phosphorylation by inhibition of the Lim family kinases.
Bioorg. Med. Chem. Lett., 22 (18): 5995-8. [PMID:22902653]
3. Johne C, Matenia D, Li XY, Timm T, Balusamy K, Mandelkow EM. (2008)
Spred1 and TESK1--two new interaction partners of the kinase MARKK/TAO1 that link the microtubule and actin cytoskeleton.
Mol. Biol. Cell, 19 (4): 1391-403. [PMID:18216281]
4. Røsok O, Pedeutour F, Ree AH, Aasheim HC. (1999)
Identification and characterization of TESK2, a novel member of the LIMK/TESK family of protein kinases, predominantly expressed in testis.
Genomics, 61 (1): 44-54. [PMID:10512679]
5. Toshima J, Toshima JY, Takeuchi K, Mori R, Mizuno K. (2001)
Cofilin phosphorylation and actin reorganization activities of testicular protein kinase 2 and its predominant expression in testicular Sertoli cells.
J. Biol. Chem., 276 (33): 31449-58. [PMID:11418599]
6. Yang N, Higuchi O, Ohashi K, Nagata K, Wada A, Kangawa K, Nishida E, Mizuno K. (1998)
Cofilin phosphorylation by LIM-kinase 1 and its role in Rac-mediated actin reorganization.
Nature, 393 (6687): 809-12. [PMID:9655398]