| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683099
Max Phase: Preclinical
Molecular Formula: C22H18F4N2O4
Molecular Weight: 450.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc[nH]c(=O)c1)c1cc(F)ccc1Oc1ccc(OCCCC(F)(F)F)cc1
Standard InChI: InChI=1S/C22H18F4N2O4/c23-14-2-7-19(18(12-14)21(30)28-15-8-10-27-20(29)13-15)32-17-5-3-16(4-6-17)31-11-1-9-22(24,25)26/h2-8,10,12-13H,1,9,11H2,(H2,27,28,29,30)
Standard InChI Key: MZASJKXXMQQZDQ-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: 450.39 | Molecular Weight (Monoisotopic): 450.1203 | AlogP: 5.28 | #Rotatable Bonds: 8 |
| 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: 10.27 | CX Basic pKa: | CX LogP: 3.65 | CX LogD: 3.65 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.36 | Np Likeness Score: -1.29 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):