| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4539989
Max Phase: Preclinical
Molecular Formula: C21H21Br2NO2
Molecular Weight: 479.21
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)CCN1c2ccc(Br)cc2C2(CCCCC2)c2cc(Br)ccc21
Standard InChI: InChI=1S/C21H21Br2NO2/c22-14-4-6-18-16(12-14)21(9-2-1-3-10-21)17-13-15(23)5-7-19(17)24(18)11-8-20(25)26/h4-7,12-13H,1-3,8-11H2,(H,25,26)
Standard InChI Key: NBGRPJKURAXCJK-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: 479.21 | Molecular Weight (Monoisotopic): 476.9939 | AlogP: 6.39 | #Rotatable Bonds: 3 |
| Polar Surface Area: 40.54 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.36 | CX Basic pKa: | CX LogP: 6.46 | CX LogD: 3.05 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.56 | Np Likeness Score: -0.24 |
References
| 1. (2018) Modulation of K2P channels, |
| 2. (2016) Modulation of k2p channels, |
Source
Source(1):