| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683093
Max Phase: Preclinical
Molecular Formula: C21H13F7N2O4
Molecular Weight: 490.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1cc[nH]c(=O)c1
Standard InChI: InChI=1S/C21H13F7N2O4/c1-33-15-8-11(22)2-3-14(15)34-16-7-10(20(23,24)25)6-13(21(26,27)28)18(16)19(32)30-12-4-5-29-17(31)9-12/h2-9H,1H3,(H2,29,30,31,32)
Standard InChI Key: OFJWZNKJBMVLPX-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: 490.33 | Molecular Weight (Monoisotopic): 490.0764 | AlogP: 5.60 | #Rotatable Bonds: 5 |
| Polar Surface Area: 80.42 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.05 | CX Basic pKa: | CX LogP: 3.89 | CX LogD: 3.89 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.46 | Np Likeness Score: -0.92 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):