| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3967862
Max Phase: Preclinical
Molecular Formula: C22H13F2N3O4
Molecular Weight: 421.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(NC(=O)c2cc3ccccc3nc2Oc2ccc(F)cc2F)cn1
Standard InChI: InChI=1S/C22H13F2N3O4/c23-13-5-8-19(16(24)10-13)31-21-15(9-12-3-1-2-4-17(12)27-21)20(28)26-14-6-7-18(22(29)30)25-11-14/h1-11H,(H,26,28)(H,29,30)
Standard InChI Key: GQLDAOXGONWVQE-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: 421.36 | Molecular Weight (Monoisotopic): 421.0874 | AlogP: 4.65 | #Rotatable Bonds: 5 |
| Polar Surface Area: 101.41 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.07 | CX Basic pKa: 5.14 | CX LogP: 3.21 | CX LogD: 1.23 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.49 | Np Likeness Score: -1.60 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):