| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5201235
Max Phase: Preclinical
Molecular Formula: C15H15N2NaO7S
Molecular Weight: 368.37
Associated Items:
Representations
Canonical SMILES: CC(C)(O)c1coc(S(=O)(=O)[N-]C(=O)Nc2ccc3c(c2)OCO3)c1.[Na+]
Standard InChI: InChI=1S/C15H16N2O7S.Na/c1-15(2,19)9-5-13(22-7-9)25(20,21)17-14(18)16-10-3-4-11-12(6-10)24-8-23-11;/h3-7,19H,8H2,1-2H3,(H2,16,17,18);/q;+1/p-1
Standard InChI Key: WWNSIHFDSCAMMY-UHFFFAOYSA-M
Associated Targets(non-human)
NACHT, LRR and PYD domains-containing protein 3 641 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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 |
|---|
Properties
| Molecular Weight: 368.37 | Molecular Weight (Monoisotopic): 368.0678 | AlogP: 1.75 | #Rotatable Bonds: 4 |
| Polar Surface Area: 127.10 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.01 | CX Basic pKa: | CX LogP: 1.26 | CX LogD: 0.33 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.75 | Np Likeness Score: -0.71 |
References
| 1. Narros-Fernández P, Chioua M, Petcu SA, Diez-Iriepa D, Cerrada-Gálvez L, Decouty-Pérez C, Palomino-Antolín A, Ramos E, Farré-Alins V, López-Rodríguez AB, Romero A, Marco-Contelles J, Egea J.. (2022) Synthesis and Pharmacological Evaluation of New N-Sulfonylureas as NLRP3 Inflammasome Inhibitors: Identification of a Hit Compound to Treat Gout., 65 (8.0): [PMID:35403430] [10.1021/acs.jmedchem.2c00149] |
Source
Source(1):