| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683088
Max Phase: Preclinical
Molecular Formula: C23H22F3N3O3
Molecular Weight: 445.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(NC(=O)c2ccc(C(C)(C)C)cc2Oc2ccc(C(F)(F)F)nc2)ccc1=O
Standard InChI: InChI=1S/C23H22F3N3O3/c1-22(2,3)14-5-8-17(21(31)28-15-6-10-20(30)29(4)13-15)18(11-14)32-16-7-9-19(27-12-16)23(24,25)26/h5-13H,1-4H3,(H,28,31)
Standard InChI Key: LQEGEICTHYLCCB-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: 445.44 | Molecular Weight (Monoisotopic): 445.1613 | AlogP: 5.14 | #Rotatable Bonds: 4 |
| Polar Surface Area: 73.22 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.68 | CX Basic pKa: 0.85 | CX LogP: 3.97 | CX LogD: 3.97 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.60 | Np Likeness Score: -1.50 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):