| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4461580
Max Phase: Preclinical
Molecular Formula: C18H21NO4
Molecular Weight: 315.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1cc(C)n2c1-c1cc(OC)c(OC)cc1CC2
Standard InChI: InChI=1S/C18H21NO4/c1-5-23-18(20)14-8-11(2)19-7-6-12-9-15(21-3)16(22-4)10-13(12)17(14)19/h8-10H,5-7H2,1-4H3
Standard InChI Key: SKIRHZNCGAIMAL-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: 315.37 | Molecular Weight (Monoisotopic): 315.1471 | AlogP: 3.21 | #Rotatable Bonds: 4 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.13 | CX LogD: 3.13 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.81 | Np Likeness Score: -0.29 |
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):