| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3973225
Max Phase: Preclinical
Molecular Formula: C23H17F2N3O5S
Molecular Weight: 485.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NS(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3nc2Oc2ccccc2OC(F)F)c1
Standard InChI: InChI=1S/C23H17F2N3O5S/c24-23(25)33-20-11-4-3-10-19(20)32-22-17(12-14-6-1-2-9-18(14)28-22)21(29)27-15-7-5-8-16(13-15)34(26,30)31/h1-13,23H,(H,27,29)(H2,26,30,31)
Standard InChI Key: JSTZALWKYWYCSN-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 |
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Properties
| Molecular Weight: 485.47 | Molecular Weight (Monoisotopic): 485.0857 | AlogP: 4.53 | #Rotatable Bonds: 7 |
| Polar Surface Area: 120.61 | 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: 0.02 | CX LogP: 4.69 | CX LogD: 4.69 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.40 | Np Likeness Score: -1.78 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):