| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA408488
Max Phase: Preclinical
Molecular Formula: C6H10BrNO4
Molecular Weight: 240.05
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)OCC(Br)([N+](=O)[O-])CO1
Standard InChI: InChI=1S/C6H10BrNO4/c1-5(2)11-3-6(7,4-12-5)8(9)10/h3-4H2,1-2H3
Standard InChI Key: JPAOVDVRWCPYCH-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel subfamily A member 1/beta-1 22 Activities
Voltage-gated potassium channel subunit Kv1.1 248 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Voltage-gated potassium channel subunit Kv1.4 24 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Potassium voltage-gated channel subfamily D member 2 12 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Mus musculus 284745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 240.05 | Molecular Weight (Monoisotopic): 238.9793 | AlogP: 1.14 | #Rotatable Bonds: 1 |
| Polar Surface Area: 61.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.64 | CX LogD: 1.64 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.30 | Np Likeness Score: 0.46 |
References
| 1. Lu Q, Peevey J, Jow F, Monaghan MM, Mendoza G, Zhang H, Wu J, Kim CY, Bicksler J, Greenblatt L, Lin SS, Childers W, Bowlby MR.. (2008) Disruption of Kv1.1 N-type inactivation by novel small molecule inhibitors (disinactivators)., 16 (6): [PMID:18226531] [10.1016/j.bmc.2007.12.031] |
Source
Source(1):