Ligand id: 9828

Name: alvespimycin

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 169.52
Molecular weight 616.35
XLogP 1.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Jhaveri K, Miller K, Rosen L, Schneider B, Chap L, Hannah A, Zhong Z, Ma W, Hudis C, Modi S. (2012)
A phase I dose-escalation trial of trastuzumab and alvespimycin hydrochloride (KOS-1022; 17 DMAG) in the treatment of advanced solid tumors.
Clin. Cancer Res., 18 (18): 5090-8. [PMID:22781552]
2. Kung PP, Funk L, Meng J, Collins M, Zhou JZ, Johnson MC, Ekker A, Wang J, Mehta P, Yin MJ et al.. (2008)
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg. Med. Chem. Lett., 18 (23): 6273-8. [PMID:18929486]