| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4441986
Max Phase: Preclinical
Molecular Formula: C25H26N2O5S
Molecular Weight: 466.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCc1ccc(S(=O)(=O)NC2c3cc(NC(=O)c4cccc(OC)c4)ccc3CC2O)cc1
Standard InChI: InChI=1S/C25H26N2O5S/c1-3-16-7-11-21(12-8-16)33(30,31)27-24-22-15-19(10-9-17(22)14-23(24)28)26-25(29)18-5-4-6-20(13-18)32-2/h4-13,15,23-24,27-28H,3,14H2,1-2H3,(H,26,29)
Standard InChI Key: KCRNOVULDSNKBZ-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: 466.56 | Molecular Weight (Monoisotopic): 466.1562 | AlogP: 3.45 | #Rotatable Bonds: 7 |
| Polar Surface Area: 104.73 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.30 | CX Basic pKa: | CX LogP: 3.89 | CX LogD: 3.88 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.49 | Np Likeness Score: -1.05 |
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):