| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4764429
Max Phase: Preclinical
Molecular Formula: C17H23F3N2
Molecular Weight: 312.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(N)CN(C1CC1)C1(c2cccc(C(F)(F)F)c2)CC1
Standard InChI: InChI=1S/C17H23F3N2/c1-15(2,21)11-22(14-6-7-14)16(8-9-16)12-4-3-5-13(10-12)17(18,19)20/h3-5,10,14H,6-9,11,21H2,1-2H3
Standard InChI Key: DXXKXVVBRBASOS-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: 312.38 | Molecular Weight (Monoisotopic): 312.1813 | AlogP: 3.90 | #Rotatable Bonds: 5 |
| Polar Surface Area: 29.26 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.88 | CX LogP: 3.55 | CX LogD: 1.09 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.89 | Np Likeness Score: -0.79 |
References
| 1. Blass BE.. (2020) Novel Potassium Channel Inhibitors., 11 (12.0): [PMID:33335651] [10.1021/acsmedchemlett.0c00569] |
Source
Source(1):