| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683094
Max Phase: Preclinical
Molecular Formula: C20H11F7N2O3
Molecular Weight: 460.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc[nH]c(=O)c1)c1c(Oc2ccc(F)cc2)cc(C(F)(F)F)cc1C(F)(F)F
Standard InChI: InChI=1S/C20H11F7N2O3/c21-11-1-3-13(4-2-11)32-15-8-10(19(22,23)24)7-14(20(25,26)27)17(15)18(31)29-12-5-6-28-16(30)9-12/h1-9H,(H2,28,29,30,31)
Standard InChI Key: QYLLDXJQSXDYLQ-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: 460.31 | Molecular Weight (Monoisotopic): 460.0658 | AlogP: 5.60 | #Rotatable Bonds: 4 |
| Polar Surface Area: 71.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.06 | CX Basic pKa: | CX LogP: 4.05 | CX LogD: 4.05 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.50 | Np Likeness Score: -0.97 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):