| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3287208
Max Phase: Preclinical
Molecular Formula: C14H9F4NO4S2
Molecular Weight: 395.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CS(=O)(=O)c2sccc2N1Cc1ccc(F)c(OC(F)(F)F)c1
Standard InChI: InChI=1S/C14H9F4NO4S2/c15-9-2-1-8(5-11(9)23-14(16,17)18)6-19-10-3-4-24-13(10)25(21,22)7-12(19)20/h1-5H,6-7H2
Standard InChI Key: ODTLNSGLXHNJMR-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: 395.36 | Molecular Weight (Monoisotopic): 394.9909 | AlogP: 3.11 | #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: 9.41 | CX Basic pKa: | CX LogP: 3.32 | CX LogD: 3.31 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.75 | Np Likeness Score: -1.65 |
References
| 1. Blass B.. (2014) Fused Thiazin-3-ones as KCa3.1 Inhibitors., 5 (5): [PMID:24900861] [10.1021/ml500090s] |
Source
Source(1):