ML321

Ligand id: 8368

Name: ML321

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 113.93
Molecular weight 410.08
XLogP 1.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Xiao J, Free RB, Barnaeva E, Conroy J, Doyle T, Bryant-Genevier M, Taylor MK, Southall N, Hu X, Ferrer M et al.. (2010)
Discovery, optimization, and characterization of a novel series of dopamine D2 versus D3 receptor selective antagonists.
Probe Reports from the NIH Molecular Libraries Program,. [PMID:24260782]
2. Xiao J, Free RB, Barnaeva E, Conroy JL, Doyle T, Miller B, Bryant-Genevier M, Taylor MK, Hu X, Dulcey AE et al.. (2014)
Discovery, optimization, and characterization of novel D2 dopamine receptor selective antagonists.
J. Med. Chem., 57 (8): 3450-63. [PMID:24666157]