ID: ALA3678191
Chembl Id: CHEMBL3678191
PubChem CID: 90034801
Max Phase: Preclinical
Molecular Formula: C20H15F3N2O3
Molecular Weight: 388.35
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccccc1Oc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1
Standard InChI: InChI=1S/C20H15F3N2O3/c1-12-4-2-3-5-16(12)28-17-7-6-13(20(21,22)23)10-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-11H,1H3,(H2,24,25,26,27)
Standard InChI Key: PIQAUSNVLROXMR-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 388.35 | Molecular Weight (Monoisotopic): 388.1035 | AlogP: 4.75 | #Rotatable Bonds: 4 |
| Polar Surface Area: 71.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 10.43 | CX Basic pKa: ┄ | CX LogP: 3.55 | CX LogD: 3.54 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.68 | Np Likeness Score: -1.28 |
| 1. (2015) Pyridone amides as modulators of sodium channels, |
| 2. (2015) Prodrugs of pyridone amides useful as modulators of sodium channels, |
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