| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4536251
Max Phase: Preclinical
Molecular Formula: C16H17FN2O2S
Molecular Weight: 320.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CN1CCCCC1
Standard InChI: InChI=1S/C16H17FN2O2S/c17-13-6-4-12(5-7-13)10-14-15(20)19(16(21)22-14)11-18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,11H2/b14-10+
Standard InChI Key: XYUGZZVMKOSRGA-GXDHUFHOSA-N
Associated Targets(Human)
Potassium channel subfamily K member 2 490 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: 320.39 | Molecular Weight (Monoisotopic): 320.0995 | AlogP: 3.31 | #Rotatable Bonds: 3 |
| Polar Surface Area: 40.62 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.72 | CX LogP: 3.20 | CX LogD: 3.11 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: -2.00 |
References
| 1. (2018) Modulation of K2P channels, |
| 2. (2016) Modulation of k2p channels, |
Source
Source(1):