compound 7b [PMID: 17583500]

Ligand id: 8828

Name: compound 7b [PMID: 17583500]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 35.58
Molecular weight 515.27
XLogP 8.64
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hawkins JL, Robbins MD, Warren LC, Xia D, Petras SF, Valentine JJ, Varghese AH, Wang IK, Subashi TA, Shelly LD et al.. (2008)
Pharmacologic inhibition of site 1 protease activity inhibits sterol regulatory element-binding protein processing and reduces lipogenic enzyme gene expression and lipid synthesis in cultured cells and experimental animals.
J. Pharmacol. Exp. Ther., 326 (3): 801-8. [PMID:18577702]
2. Hay BA, Abrams B, Zumbrunn AY, Valentine JJ, Warren LC, Petras SF, Shelly LD, Xia A, Varghese AH, Hawkins JL et al.. (2007)
Aminopyrrolidineamide inhibitors of site-1 protease.
Bioorg. Med. Chem. Lett., 17 (16): 4411-4. [PMID:17583500]