| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683083
Max Phase: Preclinical
Molecular Formula: C19H11F6N3O3
Molecular Weight: 443.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1
Standard InChI: InChI=1S/C19H11F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-9H,(H2,26,28,29,30)
Standard InChI Key: BSCTXVDJXNZALB-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: 443.30 | Molecular Weight (Monoisotopic): 443.0705 | AlogP: 4.85 | #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: 10.78 | CX Basic pKa: 0.85 | CX LogP: 3.08 | CX LogD: 3.08 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.56 | Np Likeness Score: -1.35 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):