| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4780941
Max Phase: Preclinical
Molecular Formula: C15H20F4N2O2S
Molecular Weight: 368.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(N)CN(C1(c2ccc(F)c(C(F)(F)F)c2)CC1)S(C)(=O)=O
Standard InChI: InChI=1S/C15H20F4N2O2S/c1-13(2,20)9-21(24(3,22)23)14(6-7-14)10-4-5-12(16)11(8-10)15(17,18)19/h4-5,8H,6-7,9,20H2,1-3H3
Standard InChI Key: UEYWXIPGHUSHBK-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: Unknown | 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: 368.40 | Molecular Weight (Monoisotopic): 368.1182 | AlogP: 2.83 | #Rotatable Bonds: 5 |
| Polar Surface Area: 63.40 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.60 | CX LogP: 1.95 | CX LogD: -0.19 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.81 | Np Likeness Score: -0.91 |
References
| 1. Blass BE.. (2020) Novel Potassium Channel Inhibitors., 11 (12.0): [PMID:33335651] [10.1021/acsmedchemlett.0c00569] |
Source
Source(1):