| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3974970
Max Phase: Preclinical
Molecular Formula: C22H17FN4O5S
Molecular Weight: 468.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(Oc2nc3ccccc3nc2C(=O)Nc2cccc(S(N)(=O)=O)c2)c(F)c1
Standard InChI: InChI=1S/C22H17FN4O5S/c1-31-14-9-10-19(16(23)12-14)32-22-20(26-17-7-2-3-8-18(17)27-22)21(28)25-13-5-4-6-15(11-13)33(24,29)30/h2-12H,1H3,(H,25,28)(H2,24,29,30)
Standard InChI Key: PLYMZMKWPPUGCE-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 |
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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: 468.47 | Molecular Weight (Monoisotopic): 468.0904 | AlogP: 3.47 | #Rotatable Bonds: 6 |
| Polar Surface Area: 133.50 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.08 | CX Basic pKa: | CX LogP: 3.46 | CX LogD: 3.46 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.44 | Np Likeness Score: -1.73 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):