cis-epoxysuccinic acid   Click here for help

GtoPdb Ligand ID: 9631

PDB Ligand
Compound class: Synthetic organic
Comment: Succinate receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 87.13
Molecular weight 132.01
XLogP -1.22
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)C1OC1C(=O)O
Isomeric SMILES OC(=O)[C@@H]1O[C@@H]1C(=O)O
InChI InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
1. Geubelle P, Gilissen J, Dilly S, Poma L, Dupuis N, Laschet C, Abboud D, Inoue A, Jouret F, Pirotte B et al.. (2017)
Identification and pharmacological characterization of succinate receptor agonists.
Br J Pharmacol, 174 (9): 796-808. [PMID:28160606]
2. Trauelsen M, Rexen Ulven E, Hjorth SA, Brvar M, Monaco C, Frimurer TM, Schwartz TW. (2017)
Receptor structure-based discovery of non-metabolite agonists for the succinate receptor GPR91.
Mol Metab, 6 (12): 1585-1596. [PMID:29157600]