Ligand id: 9180

Name: C108297

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 82.04
Molecular weight 553.24
XLogP 5.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Clark RD, Ray NC, Williams K, Blaney P, Ward S, Crackett PH, Hurley C, Dyke HJ, Clark DE, Lockey P et al.. (2008)
1H-Pyrazolo[3,4-g]hexahydro-isoquinolines as selective glucocorticoid receptor antagonists with high functional activity.
Bioorg. Med. Chem. Lett., 18 (4): 1312-7. [PMID:18226897]
2. van den Heuvel JK, Boon MR, van Hengel I, Peschier-van der Put E, van Beek L, van Harmelen V, van Dijk KW, Pereira AM, Hunt H, Belanoff JK et al.. (2016)
Identification of a selective glucocorticoid receptor modulator that prevents both diet-induced obesity and inflammation.
Br. J. Pharmacol., 173 (11): 1793-804. [PMID:26990179]