Ligand id: 3420

Name: (S)-4-CMTB

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 70.23
Molecular weight 312.05
XLogP 4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hudson BD, Tikhonova IG, Pandey SK, Ulven T, Milligan G. (2012)
Extracellular ionic locks determine variation in constitutive activity and ligand potency between species orthologs of the free fatty acid receptors FFA2 and FFA3.
J. Biol. Chem., 287 (49): 41195-209. [PMID:23066016]
2. Lee T, Schwandner R, Swaminath G, Weiszmann J, Cardozo M, Greenberg J, Jaeckel P, Ge H, Wang Y, Jiao X et al.. (2008)
Identification and functional characterization of allosteric agonists for the G protein-coupled receptor FFA2.
Mol. Pharmacol., 74 (6): 1599-609. [PMID:18818303]