benzatropine

Ligand id: 7601

Name: benzatropine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 12.47
Molecular weight 307.19
XLogP 6.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Cheng Q, Shah N, Bröer A, Fairweather S, Jiang Y, Schmoll D, Corry B, Bröer S. (2017)
Identification of novel inhibitors of the amino acid transporter B0 AT1 (SLC6A19), a potential target to induce protein restriction and to treat type 2 diabetes.
Br. J. Pharmacol., 174 (6): 468-482. [PMID:28176326]
2. Jiang Y, Rose AJ, Sijmonsma TP, Bröer A, Pfenninger A, Herzig S, Schmoll D, Bröer S. (2015)
Mice lacking neutral amino acid transporter B(0)AT1 (Slc6a19) have elevated levels of FGF21 and GLP-1 and improved glycaemic control.
Mol Metab, 4 (5): 406-17. [PMID:25973388]
3. Newman AH, Kline RH, Allen AC, Izenwasser S, George C, Katz JL. (1995)
Novel 4'-substituted and 4',4"-disubstituted 3 alpha-(diphenylmethoxy)tropane analogs as potent and selective dopamine uptake inhibitors.
J. Med. Chem., 38 (20): 3933-40. [PMID:7562926]