The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
2-Phenyl-ethanesulfonic acid (2-oxo-tetrahydro-furan-3-yl)-amide ID: ALA184464
Chembl Id: CHEMBL184464
PubChem CID: 44394448
Max Phase: Preclinical
Molecular Formula: C12H15NO4S
Molecular Weight: 269.32
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C1OCCC1NS(=O)(=O)CCc1ccccc1
Standard InChI: InChI=1S/C12H15NO4S/c14-12-11(6-8-17-12)13-18(15,16)9-7-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
Standard InChI Key: PWOYPKXAFMTVTA-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 269.32Molecular Weight (Monoisotopic): 269.0722AlogP: 0.46#Rotatable Bonds: 5Polar Surface Area: 72.47Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 8.48CX Basic pKa: ┄CX LogP: 0.58CX LogD: 0.55Aromatic Rings: 1Heavy Atoms: 18QED Weighted: 0.79Np Likeness Score: -0.68
References 1. Castang S, Chantegrel B, Deshayes C, Dolmazon R, Gouet P, Haser R, Reverchon S, Nasser W, Hugouvieux-Cotte-Pattat N, Doutheau A.. (2004) N-Sulfonyl homoserine lactones as antagonists of bacterial quorum sensing., 14 (20): [PMID:15380216 ] [10.1016/j.bmcl.2004.07.088 ] 2. Chbib C.. (2020) Impact of the structure-activity relationship of AHL analogues on quorum sensing in Gram-negative bacteria., 28 (3): [PMID:31918952 ] [10.1016/j.bmc.2019.115282 ]