| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4439787
Max Phase: Preclinical
Molecular Formula: C22H23NO4S
Molecular Weight: 397.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1c(-c2cccs2)c(C)n2c1-c1cc(OC)c(OC)cc1CC2
Standard InChI: InChI=1S/C22H23NO4S/c1-5-27-22(24)20-19(18-7-6-10-28-18)13(2)23-9-8-14-11-16(25-3)17(26-4)12-15(14)21(20)23/h6-7,10-12H,5,8-9H2,1-4H3
Standard InChI Key: WOUCVSDVOGFZPI-UHFFFAOYSA-N
Associated Targets(Human)
Potassium channel subfamily K member 3 756 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: 397.50 | Molecular Weight (Monoisotopic): 397.1348 | AlogP: 4.94 | #Rotatable Bonds: 5 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.55 | CX LogD: 4.55 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.57 | Np Likeness Score: -0.59 |
References
| 1. Bedoya M, Rinné S, Kiper AK, Decher N, González W, Ramírez D.. (2019) TASK Channels Pharmacology: New Challenges in Drug Design., 62 (22): [PMID:31260312] [10.1021/acs.jmedchem.9b00248] |
Source
Source(1):