PSB-12062   Click here for help

GtoPdb Ligand ID: 9542

Synonyms: 10-tosyl-10H-phenoxazine | compound 21 [PMID: 23075067]
Compound class: Synthetic organic
Comment: PSB-12062 is a P2X4 receptor antagonist with an allosteric mode of action [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 54.99
Molecular weight 337.08
XLogP 4.86
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2
Isomeric SMILES Cc1ccc(cc1)S(=O)(=O)N1c2ccccc2Oc2c1cccc2
InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3
1. Hernandez-Olmos V, Abdelrahman A, El-Tayeb A, Freudendahl D, Weinhausen S, Müller CE. (2012)
N-substituted phenoxazine and acridone derivatives: structure-activity relationships of potent P2X4 receptor antagonists.
J Med Chem, 55 (22): 9576-88. [PMID:23075067]
2. Jacobson KA, Müller CE. (2016)
Medicinal chemistry of adenosine, P2Y and P2X receptors.
Neuropharmacology, 104: 31-49. [PMID:26686393]
3. North RA, Jarvis MF. (2013)
P2X receptors as drug targets.
Mol Pharmacol, 83 (4): 759-69. [PMID:23253448]