compound 33 [Toda et al., 2013]

Ligand id: 8791

Name: compound 33 [Toda et al., 2013]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 102.99
Molecular weight 438.25
XLogP 1.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Toda N, Hao X, Ogawa Y, Oda K, Yu M, Fu Z, Chen Y, Kim Y, Lizarzaburu M, Lively S et al.. (2013)
Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes.
ACS Med Chem Lett, 4 (8): 790-4. [PMID:24900747]