| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3683092
Max Phase: Preclinical
Molecular Formula: C21H13F7N2O3
Molecular Weight: 474.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1cc[nH]c(=O)c1
Standard InChI: InChI=1S/C21H13F7N2O3/c1-10-6-12(22)2-3-15(10)33-16-8-11(20(23,24)25)7-14(21(26,27)28)18(16)19(32)30-13-4-5-29-17(31)9-13/h2-9H,1H3,(H2,29,30,31,32)
Standard InChI Key: OJGBGGHWKBSYTM-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: 474.33 | Molecular Weight (Monoisotopic): 474.0814 | AlogP: 5.90 | #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: 4.57 | CX LogD: 4.56 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.46 | Np Likeness Score: -1.04 |
References
| 1. (2015) Pyridone amides as modulators of sodium channels, |
Source
Source(1):