| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4578161
Max Phase: Preclinical
Molecular Formula: C15H13Cl2NO2
Molecular Weight: 310.18
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: OCC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
Standard InChI: InChI=1S/C15H13Cl2NO2/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11(20)8-19/h1-6,11,19-20H,7-8H2
Standard InChI Key: HUEAREQFYNUIEN-UHFFFAOYSA-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: 310.18 | Molecular Weight (Monoisotopic): 309.0323 | AlogP: 3.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 45.39 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.91 | CX Basic pKa: | CX LogP: 3.20 | CX LogD: 3.20 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.78 | Np Likeness Score: -0.56 |
References
| 1. (2016) Modulation of k2p channels, |
Source
Source(1):