| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3978598
Max Phase: Preclinical
Molecular Formula: C20H13FN4O5S
Molecular Weight: 440.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1nc(C(=O)O)cs1
Standard InChI: InChI=1S/C20H13FN4O5S/c1-29-15-8-10(21)6-7-14(15)30-18-16(22-11-4-2-3-5-12(11)23-18)17(26)25-20-24-13(9-31-20)19(27)28/h2-9H,1H3,(H,27,28)(H,24,25,26)
Standard InChI Key: WCGWKBXAUUKOLR-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: 440.41 | Molecular Weight (Monoisotopic): 440.0591 | AlogP: 3.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 123.53 | Molecular Species: ACID | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.16 | CX Basic pKa: | CX LogP: 4.24 | CX LogD: 0.79 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.46 | Np Likeness Score: -1.55 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):