ID: ALA3678232
Chembl Id: CHEMBL3678232
PubChem CID: 78323426
Max Phase: Preclinical
Molecular Formula: C19H14ClFN2O4
Molecular Weight: 388.78
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: COc1cc(F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1
Standard InChI: InChI=1S/C19H14ClFN2O4/c1-26-17-9-12(21)3-5-16(17)27-15-4-2-11(20)8-14(15)19(25)23-13-6-7-22-18(24)10-13/h2-10H,1H3,(H2,22,23,24,25)
Standard InChI Key: IDCLDFZOZFUTLI-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: 388.78 | Molecular Weight (Monoisotopic): 388.0626 | AlogP: 4.22 | #Rotatable Bonds: 5 |
| Polar Surface Area: 80.42 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 10.41 | CX Basic pKa: ┄ | CX LogP: 2.74 | CX LogD: 2.74 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.69 | Np Likeness Score: -1.35 |
| 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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