Ligand id: 2663

Name: AD-5061

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 106.73
Molecular weight 408.11
XLogP 3.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Sakamoto J, Kimura H, Moriyama S, Imoto H, Momose Y, Odaka H, Sawada H. (2004)
A novel oxyiminoalkanoic acid derivative, TAK-559, activates human peroxisome proliferator-activated receptor subtypes.
Eur. J. Pharmacol., 495 (1): 17-26. [PMID:15219816]
2. Sakamoto J, Kimura H, Moriyama S, Odaka H, Momose Y, Sugiyama Y, Sawada H. (2000)
Activation of human peroxisome proliferator-activated receptor (PPAR) subtypes by pioglitazone.
Biochem. Biophys. Res. Commun., 278 (3): 704-11. [PMID:11095972]