| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA258938
Max Phase: Preclinical
Molecular Formula: C16H14N2O5
Molecular Weight: 314.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)C1C(=O)C2=C(CCCC2)C1=O
Standard InChI: InChI=1S/C16H14N2O5/c19-14-11-3-1-2-4-12(11)15(20)13(14)16(21)17-9-5-7-10(8-6-9)18(22)23/h5-8,13H,1-4H2,(H,17,21)
Standard InChI Key: ULDBILQQZDKBPX-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 |
|---|
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: 314.30 | Molecular Weight (Monoisotopic): 314.0903 | AlogP: 2.17 | #Rotatable Bonds: 3 |
| Polar Surface Area: 106.38 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.50 | CX Basic pKa: | CX LogP: 3.06 | CX LogD: 1.02 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.52 | Np Likeness Score: -0.90 |
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):