| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3287207
Max Phase: Preclinical
Molecular Formula: C15H11F4NO4S2
Molecular Weight: 409.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CS(=O)(=O)c2ccsc21
Standard InChI: InChI=1S/C15H11F4NO4S2/c1-8(9-2-3-10(16)11(6-9)24-15(17,18)19)20-13(21)7-26(22,23)12-4-5-25-14(12)20/h2-6,8H,7H2,1H3
Standard InChI Key: JLDAMWQKGBMEFH-UHFFFAOYSA-N
Associated Targets(Human)
Intermediate conductance calcium-activated potassium channel protein 4 87 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: 409.38 | Molecular Weight (Monoisotopic): 409.0066 | AlogP: 3.67 | #Rotatable Bonds: 3 |
| Polar Surface Area: 63.68 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.53 | CX Basic pKa: | CX LogP: 3.73 | CX LogD: 3.73 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.73 | Np Likeness Score: -1.54 |
References
| 1. Blass B.. (2014) Fused Thiazin-3-ones as KCa3.1 Inhibitors., 5 (5): [PMID:24900861] [10.1021/ml500090s] |
Source
Source(1):