| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4537468
Max Phase: Preclinical
Molecular Formula: C15H11Br2NO2
Molecular Weight: 397.07
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)CCn1c2ccc(Br)cc2c2cc(Br)ccc21
Standard InChI: InChI=1S/C15H11Br2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20)
Standard InChI Key: RAKOBLCSKMUWIA-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: 397.07 | Molecular Weight (Monoisotopic): 394.9157 | AlogP: 4.79 | #Rotatable Bonds: 3 |
| Polar Surface Area: 42.23 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.31 | CX Basic pKa: | CX LogP: 4.57 | CX LogD: 1.14 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.69 | Np Likeness Score: -0.58 |
References
| 1. (2018) Modulation of K2P channels, |
| 2. (2016) Modulation of k2p channels, |
Source
Source(1):