Ligand id: 4631


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 109.85
Molecular weight 239.08
XLogP -1.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Shigeri Y, Shimamoto K, Yasuda-Kamatani Y, Seal RP, Yumoto N, Nakajima T, Amara SG. (2001)
Effects of threo-beta-hydroxyaspartate derivatives on excitatory amino acid transporters (EAAT4 and EAAT5).
J. Neurochem., 79 (2): 297-302. [PMID:11677257]
2. Shimamoto K, Lebrun B, Yasuda-Kamatani Y, Sakaitani M, Shigeri Y, Yumoto N, Nakajima T. (1998)
DL-threo-beta-benzyloxyaspartate, a potent blocker of excitatory amino acid transporters.
Mol. Pharmacol., 53 (2): 195-201. [PMID:9463476]
3. Shimamoto K, Shigeri Y, Yasuda-Kamatani Y, Lebrun B, Yumoto N, Nakajima T. (2000)
Syntheses of optically pure beta-hydroxyaspartate derivatives as glutamate transporter blockers.
Bioorg. Med. Chem. Lett., 10 (21): 2407-10. [PMID:11078189]