| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683095
Max Phase: Preclinical
Molecular Formula: C20H12F6N2O3
Molecular Weight: 442.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc[nH]c(=O)c1)c1c(Oc2ccccc2)cc(C(F)(F)F)cc1C(F)(F)F
Standard InChI: InChI=1S/C20H12F6N2O3/c21-19(22,23)11-8-14(20(24,25)26)17(15(9-11)31-13-4-2-1-3-5-13)18(30)28-12-6-7-27-16(29)10-12/h1-10H,(H2,27,28,29,30)
Standard InChI Key: AXDMEYZFXMOJQC-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: 442.32 | Molecular Weight (Monoisotopic): 442.0752 | AlogP: 5.46 | #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: 3.91 | CX LogD: 3.91 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.53 | Np Likeness Score: -0.84 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):