| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3965855
Max Phase: Preclinical
Molecular Formula: C23H17FN4O4
Molecular Weight: 432.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc(C(N)=O)cc1
Standard InChI: InChI=1S/C23H17FN4O4/c1-31-19-12-14(24)8-11-18(19)32-23-20(27-16-4-2-3-5-17(16)28-23)22(30)26-15-9-6-13(7-10-15)21(25)29/h2-12H,1H3,(H2,25,29)(H,26,30)
Standard InChI Key: CBMGXXXERHWPTO-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: 432.41 | Molecular Weight (Monoisotopic): 432.1234 | AlogP: 3.92 | #Rotatable Bonds: 6 |
| Polar Surface Area: 116.43 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.69 | CX Basic pKa: | CX LogP: 3.71 | CX LogD: 3.71 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.48 | Np Likeness Score: -1.38 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):