| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683081
Max Phase: Preclinical
Molecular Formula: C22H20F3N3O3
Molecular Weight: 431.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccc(C(=O)Nc2ccc(=O)[nH]c2)c(Oc2ccc(C(F)(F)F)nc2)c1
Standard InChI: InChI=1S/C22H20F3N3O3/c1-21(2,3)13-4-7-16(20(30)28-14-5-9-19(29)27-11-14)17(10-13)31-15-6-8-18(26-12-15)22(23,24)25/h4-12H,1-3H3,(H,27,29)(H,28,30)
Standard InChI Key: PNSVJQJVGCLXPD-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: 431.41 | Molecular Weight (Monoisotopic): 431.1457 | AlogP: 5.13 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.08 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.60 | CX Basic pKa: 0.85 | CX LogP: 3.75 | CX LogD: 3.74 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.60 | Np Likeness Score: -1.35 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):