| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3971232
Max Phase: Preclinical
Molecular Formula: C21H15FN4O4S
Molecular Weight: 438.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NS(=O)(=O)c1cccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(F)cc2)c1
Standard InChI: InChI=1S/C21H15FN4O4S/c22-13-8-10-15(11-9-13)30-21-19(25-17-6-1-2-7-18(17)26-21)20(27)24-14-4-3-5-16(12-14)31(23,28)29/h1-12H,(H,24,27)(H2,23,28,29)
Standard InChI Key: BKHKYRVBCOATGO-UHFFFAOYSA-N
Associated Targets(non-human)
Sodium channel protein type X alpha subunit 425 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 438.44 | Molecular Weight (Monoisotopic): 438.0798 | AlogP: 3.46 | #Rotatable Bonds: 5 |
| Polar Surface Area: 124.27 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.08 | CX Basic pKa: | CX LogP: 3.62 | CX LogD: 3.62 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: -1.79 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):