Ligand id: 2701

Name: AD5075

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 126.96
Molecular weight 424.11
XLogP 4.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Berger J, Leibowitz MD, Doebber TW, Elbrecht A, Zhang B, Zhou G, Biswas C, Cullinan CA, Hayes NS, Li Y, Tanen M, Ventre J, Wu MS, Berger GD, Mosley R, Marquis R, Santini C, Sahoo SP, Tolman RL, Smith RG, Moller DE. (1999)
Novel peroxisome proliferator-activated receptor (PPAR) gamma and PPARdelta ligands produce distinct biological effects.
J. Biol. Chem., 274 (10): 6718-25. [PMID:10037770]
2. Berger JP, Petro AE, Macnaul KL, Kelly LJ, Zhang BB, Richards K, Elbrecht A, Johnson BA, Zhou G, Doebber TW, Biswas C, Parikh M, Sharma N, Tanen MR, Thompson GM, Ventre J, Adams AD, Mosley R, Surwit RS, Moller DE. (2003)
Distinct properties and advantages of a novel peroxisome proliferator-activated protein [gamma] selective modulator.
Mol. Endocrinol., 17 (4): 662-76. [PMID:12554792]