| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3974079
Max Phase: Preclinical
Molecular Formula: C26H28N4O8S2
Molecular Weight: 588.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)CCN(C(=O)NS(=O)(=O)c2ccc(OC)cc2)CC3)cc1
Standard InChI: InChI=1S/C26H28N4O8S2/c1-37-21-5-9-23(10-6-21)39(33,34)28-25(31)27-20-4-3-18-13-15-30(16-14-19(18)17-20)26(32)29-40(35,36)24-11-7-22(38-2)8-12-24/h3-12,17H,13-16H2,1-2H3,(H,29,32)(H2,27,28,31)
Standard InChI Key: CWNXRBNVVZOSLI-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated potassium channel subfamily A member 1/beta-1 22 Activities
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: 588.66 | Molecular Weight (Monoisotopic): 588.1349 | AlogP: 2.71 | #Rotatable Bonds: 7 |
| Polar Surface Area: 160.21 | Molecular Species: ACID | HBA: 8 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 12 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.52 | CX Basic pKa: | CX LogP: 2.92 | CX LogD: 1.04 |
| Aromatic Rings: 3 | Heavy Atoms: 40 | QED Weighted: 0.38 | Np Likeness Score: -1.02 |
References
| 1. (2009) Ion channel modulators and uses thereof, |
Source
Source(1):