Ligand id: 8919

Name: AR-67

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 99.96
Molecular weight 478.19
XLogP 3.67
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Arnold SM, Rinehart JJ, Tsakalozou E, Eckardt JR, Fields SZ, Shelton BJ, DeSimone PA, Kee BK, Moscow JA, Leggas M. (2010)
A phase I study of 7-t-butyldimethylsilyl-10-hydroxycamptothecin in adult patients with refractory or metastatic solid malignancies.
Clin. Cancer Res., 16 (2): 673-80. [PMID:20068096]
2. Bom D, Curran DP, Kruszewski S, Zimmer SG, Thompson Strode J, Kohlhagen G, Du W, Chavan AJ, Fraley KA, Bingcang AL et al.. (2000)
The novel silatecan 7-tert-butyldimethylsilyl-10-hydroxycamptothecin displays high lipophilicity, improved human blood stability, and potent anticancer activity.
J. Med. Chem., 43 (21): 3970-80. [PMID:11052802]
3. Bom D, Curran DP, Zhang J, Zimmer SG, Bevins R, Kruszewski S, Howe JN, Bingcang A, Latus LJ, Burke TG. (2001)
The highly lipophilic DNA topoisomerase I inhibitor DB-67 displays elevated lactone levels in human blood and potent anticancer activity.
J Control Release, 74 (1-3): 325-33. [PMID:11489514]
4. Chen AY, Shih SJ, Garriques LN, Rothenberg ML, Hsiao M, Curran DP. (2005)
Silatecan DB-67 is a novel DNA topoisomerase I-targeted radiation sensitizer.
Mol. Cancer Ther., 4 (2): 317-24. [PMID:15713902]
5. Yeh TK, Li CM, Chen CP, Chuu JJ, Huang CL, Wang HS, Shen CC, Lee TY, Chang CY, Chang CM et al.. (2010)
Antitumor activities and pharmacokinetics of silatecans DB-67 and DB-91.
Pharmacol. Res., 61 (2): 108-15. [PMID:19643180]