Ligand id: 8222

Name: beta-carboline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 28.68
Molecular weight 168.07
XLogP 2.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Dolušić E, Larrieu P, Blanc S, Sapunaric F, Norberg B, Moineaux L, Colette D, Stroobant V, Pilotte L, Colau D et al.. (2011)
Indol-2-yl ethanones as novel indoleamine 2,3-dioxygenase (IDO) inhibitors.
Bioorg. Med. Chem., 19 (4): 1550-61. [PMID:21269836]
2. Eguchi N, Watanabe Y, Kawanishi K, Hashimoto Y, Hayaishi O. (1984)
Inhibition of indoleamine 2,3-dioxygenase and tryptophan 2,3-dioxygenase by beta-carboline and indole derivatives.
Arch. Biochem. Biophys., 232 (2): 602-9. [PMID:6431906]