EPPTB

Ligand id: 5457

Name: EPPTB

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 41.57
Molecular weight 378.16
XLogP 5.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Bradaia A, Trube G, Stalder H, Norcross RD, Ozmen L, Wettstein JG, Pinard A, Buchy D, Gassmann M, Hoener MC et al.. (2009)
The selective antagonist EPPTB reveals TAAR1-mediated regulatory mechanisms in dopaminergic neurons of the mesolimbic system.
Proc. Natl. Acad. Sci. U.S.A.106 (47): 20081-6. [PMID:19892733]
2. Stalder H, Hoener MC, Norcross RD. (2011)
Selective antagonists of mouse trace amine-associated receptor 1 (mTAAR1): discovery of EPPTB (RO5212773).
Bioorg. Med. Chem. Lett.21 (4): 1227-31. [PMID:21237643]