carfilzomib

Ligand id: 7420

Name: carfilzomib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 24
Topological polar surface area 158.47
Molecular weight 719.43
XLogP 7.56
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

References
1. Hanada M, Sugawara K, Kaneta K, Toda S, Nishiyama Y, Tomita K, Yamamoto H, Konishi M, Oki T. (1992)
Epoxomicin, a new antitumor agent of microbial origin.
J. Antibiot.45 (11): 1746-52. [PMID:1468981]
2. Kuhn DJ, Chen Q, Voorhees PM, Strader JS, Shenk KD, Sun CM, Demo SD, Bennett MK, van Leeuwen FW, Chanan-Khan AA et al.. (2007)
Potent activity of carfilzomib, a novel, irreversible inhibitor of the ubiquitin-proteasome pathway, against preclinical models of multiple myeloma.
Blood110 (9): 3281-90. [PMID:17591945]
3. Zhou HJ, Aujay MA, Bennett MK, Dajee M, Demo SD, Fang Y, Ho MN, Jiang J, Kirk CJ, Laidig GJ et al.. (2009)
Design and synthesis of an orally bioavailable and selective peptide epoxyketone proteasome inhibitor (PR-047).
J. Med. Chem.52 (9): 3028-38. [PMID:19348473]