alvocidib

Ligand id: 5680

Name: alvocidib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 90.23
Molecular weight 401.1
XLogP 1.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bose P, Simmons GL, Grant S. (2013)
Cyclin-dependent kinase inhibitor therapy for hematologic malignancies.
Expert Opin Investig Drugs22 (6): 723-38. [PMID:23647051]
2. Carlson BA, Dubay MM, Sausville EA, Brizuela L, Worland PJ. (1996)
Flavopiridol induces G1 arrest with inhibition of cyclin-dependent kinase (CDK) 2 and CDK4 in human breast carcinoma cells.
Cancer Res.56 (13): 2973-8. [PMID:8674031]
3. Davis MI, Hunt JP, Herrgard S, Ciceri P, Wodicka LM, Pallares G, Hocker M, Treiber DK, Zarrinkar PP. (2011)
Comprehensive analysis of kinase inhibitor selectivity.
Nat. Biotechnol.29 (11): 1046-51. [PMID:22037378]
4. Kaur G, Stetler-Stevenson M, Sebers S, Worland P, Sedlacek H, Myers C, Czech J, Naik R, Sausville E. (1992)
Growth inhibition with reversible cell cycle arrest of carcinoma cells by flavone L86-8275.
J. Natl. Cancer Inst.84 (22): 1736-40. [PMID:1279187]
5. Losiewicz MD, Carlson BA, Kaur G, Sausville EA, Worland PJ. (1994)
Potent inhibition of CDC2 kinase activity by the flavonoid L86-8275.
Biochem. Biophys. Res. Commun.201 (2): 589-95. [PMID:8002990]
6. Wodicka LM, Ciceri P, Davis MI, Hunt JP, Floyd M, Salerno S, Hua XH, Ford JM, Armstrong RC, Zarrinkar PP et al.. (2010)
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.
Chem. Biol.17 (11): 1241-9. [PMID:21095574]
7. Worland PJ, Kaur G, Stetler-Stevenson M, Sebers S, Sartor O, Sausville EA. (1993)
Alteration of the phosphorylation state of p34cdc2 kinase by the flavone L86-8275 in breast carcinoma cells. Correlation with decreased H1 kinase activity.
Biochem. Pharmacol.46 (10): 1831-40. [PMID:8250970]