| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3287205
Max Phase: Preclinical
Molecular Formula: C15H10F4N2O4S
Molecular Weight: 390.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CS(=O)(=O)c2cccnc2N1Cc1ccc(F)c(OC(F)(F)F)c1
Standard InChI: InChI=1S/C15H10F4N2O4S/c16-10-4-3-9(6-11(10)25-15(17,18)19)7-21-13(22)8-26(23,24)12-2-1-5-20-14(12)21/h1-6H,7-8H2
Standard InChI Key: AARWDDKVRQFBKD-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: 390.31 | Molecular Weight (Monoisotopic): 390.0297 | AlogP: 2.44 | #Rotatable Bonds: 3 |
| Polar Surface Area: 76.57 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.48 | CX Basic pKa: | CX LogP: 2.75 | CX LogD: 2.74 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.75 | Np Likeness Score: -1.68 |
References
| 1. Blass B.. (2014) Fused Thiazin-3-ones as KCa3.1 Inhibitors., 5 (5): [PMID:24900861] [10.1021/ml500090s] |
Source
Source(1):