compound 30 [PMID: 23414845]

Ligand id: 7864

Name: compound 30 [PMID: 23414845]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 75.61
Molecular weight 410.18
XLogP 5.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Halder J, Kamat AA, Landen Jr CN, Han LY, Lutgendorf SK, Lin YG, Merritt WM, Jennings NB, Chavez-Reyes A, Coleman RL et al.. (2006)
Focal adhesion kinase targeting using in vivo short interfering RNA delivery in neutral liposomes for ovarian carcinoma therapy.
Clin. Cancer Res., 12 (16): 4916-24. [PMID:16914580]
2. Ilić D, Furuta Y, Kanazawa S, Takeda N, Sobue K, Nakatsuji N, Nomura S, Fujimoto J, Okada M, Yamamoto T. (1995)
Reduced cell motility and enhanced focal adhesion contact formation in cells from FAK-deficient mice.
Nature, 377 (6549): 539-44. [PMID:7566154]
3. McLean GW, Carragher NO, Avizienyte E, Evans J, Brunton VG, Frame MC. (2005)
The role of focal-adhesion kinase in cancer - a new therapeutic opportunity.
Nat. Rev. Cancer, 5 (7): 505-15. [PMID:16069815]
4. Schlaepfer DD, Hanks SK, Hunter T, van der Geer P. (1994)
Integrin-mediated signal transduction linked to Ras pathway by GRB2 binding to focal adhesion kinase.
Nature, 372 (6508): 786-91. [PMID:7997267]
5. Schwock J, Dhani N, Cao MP, Zheng J, Clarkson R, Radulovich N, Navab R, Horn LC, Hedley DW. (2009)
Targeting focal adhesion kinase with dominant-negative FRNK or Hsp90 inhibitor 17-DMAG suppresses tumor growth and metastasis of SiHa cervical xenografts.
Cancer Res., 69 (11): 4750-9. [PMID:19458065]
6. Schwock J, Dhani N, Hedley DW. (2010)
Targeting focal adhesion kinase signaling in tumor growth and metastasis.
Expert Opin. Ther. Targets, 14 (1): 77-94. [PMID:20001212]
7. Tomita N, Hayashi Y, Suzuki S, Oomori Y, Aramaki Y, Matsushita Y, Iwatani M, Iwata H, Okabe A, Awazu Y et al.. (2013)
Structure-based discovery of cellular-active allosteric inhibitors of FAK.
Bioorg. Med. Chem. Lett., 23 (6): 1779-85. [PMID:23414845]
8. Tsutsumi K, Yamaura T, Nakajima M, Honda T, Kasaoka T. (2009)
Silencing of focal adhesion kinase by tumor direct injection of small interfering RNA decreases in vivo tumor growth.
Cancer Biol. Ther., 8 (13): 1292-9. [PMID:19458494]