| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4564575
Max Phase: Preclinical
Molecular Formula: C16H14BrNO2
Molecular Weight: 332.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(c1)c1cc(Br)ccc1n2CCC(=O)O
Standard InChI: InChI=1S/C16H14BrNO2/c1-10-2-4-14-12(8-10)13-9-11(17)3-5-15(13)18(14)7-6-16(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)
Standard InChI Key: STEPEEHQDRNFGF-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: 332.20 | Molecular Weight (Monoisotopic): 331.0208 | AlogP: 4.34 | #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: 4.02 | CX Basic pKa: | CX LogP: 4.31 | CX LogD: 1.17 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.78 | Np Likeness Score: -0.78 |
References
| 1. (2016) Modulation of k2p channels, |
Source
Source(1):