| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3983371
Max Phase: Preclinical
Molecular Formula: C23H18FN3O5S
Molecular Weight: 467.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(Oc2nc3ccccc3cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1F
Standard InChI: InChI=1S/C23H18FN3O5S/c1-31-21-10-9-16(13-19(21)24)32-23-18(11-14-5-2-3-8-20(14)27-23)22(28)26-15-6-4-7-17(12-15)33(25,29)30/h2-13H,1H3,(H,26,28)(H2,25,29,30)
Standard InChI Key: UFFKDWJFXWNEMB-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: 467.48 | Molecular Weight (Monoisotopic): 467.0951 | AlogP: 4.07 | #Rotatable Bonds: 6 |
| 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: 0.08 | CX LogP: 3.91 | CX LogD: 3.91 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.44 | Np Likeness Score: -1.78 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):