| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3287206
Max Phase: Preclinical
Molecular Formula: C16H14F4N2O4S2
Molecular Weight: 438.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)c1nc2c(s1)S(=O)(=O)CC(=O)N2Cc1ccc(F)c(OC(F)(F)F)c1
Standard InChI: InChI=1S/C16H14F4N2O4S2/c1-8(2)14-21-13-15(27-14)28(24,25)7-12(23)22(13)6-9-3-4-10(17)11(5-9)26-16(18,19)20/h3-5,8H,6-7H2,1-2H3
Standard InChI Key: ZWDRWONPTSZBKW-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: 438.42 | Molecular Weight (Monoisotopic): 438.0331 | AlogP: 3.62 | #Rotatable Bonds: 4 |
| Polar Surface Area: 76.57 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.26 | CX Basic pKa: | CX LogP: 4.16 | CX LogD: 4.15 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.68 | Np Likeness Score: -1.48 |
References
| 1. Blass B.. (2014) Fused Thiazin-3-ones as KCa3.1 Inhibitors., 5 (5): [PMID:24900861] [10.1021/ml500090s] |
Source
Source(1):