| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683089
Max Phase: Preclinical
Molecular Formula: C19H14F3N3O3
Molecular Weight: 389.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ncccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1
Standard InChI: InChI=1S/C19H14F3N3O3/c1-11-15(3-2-7-23-11)28-16-5-4-12(19(20,21)22)9-14(16)18(27)25-13-6-8-24-17(26)10-13/h2-10H,1H3,(H2,24,25,26,27)
Standard InChI Key: XLUICCIIQQVLBW-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: 389.33 | Molecular Weight (Monoisotopic): 389.0987 | AlogP: 4.14 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.08 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.42 | CX Basic pKa: 5.51 | CX LogP: 1.95 | CX LogD: 1.94 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.70 | Np Likeness Score: -1.29 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):