| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3934729
Max Phase: Preclinical
Molecular Formula: C19H13FN4O3S2
Molecular Weight: 428.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)c2cccnc12)c1ccccc1F
Standard InChI: InChI=1S/C19H13FN4O3S2/c20-14-6-2-1-4-12(14)18(25)23-15-7-8-16(13-5-3-9-21-17(13)15)29(26,27)24-19-22-10-11-28-19/h1-11H,(H,22,24)(H,23,25)
Standard InChI Key: HWDRQVTWEDWSQL-UHFFFAOYSA-N
Associated Targets(non-human)
Voltage-gated sodium channel 36 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: 428.47 | Molecular Weight (Monoisotopic): 428.0413 | AlogP: 3.88 | #Rotatable Bonds: 5 |
| Polar Surface Area: 101.05 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.68 | CX Basic pKa: 1.02 | CX LogP: 3.20 | CX LogD: 2.60 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.50 | Np Likeness Score: -2.35 |
References
| 1. (2012) Bicyclic derivatives as modulators of voltage gated ion channels, |
Source
Source(1):