| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3955143
Max Phase: Preclinical
Molecular Formula: C26H28N4O6S2
Molecular Weight: 556.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)CCN(C(=O)NS(=O)(=O)c2ccc(C)cc2)CC3)cc1
Standard InChI: InChI=1S/C26H28N4O6S2/c1-18-3-9-23(10-4-18)37(33,34)28-25(31)27-22-8-7-20-13-15-30(16-14-21(20)17-22)26(32)29-38(35,36)24-11-5-19(2)6-12-24/h3-12,17H,13-16H2,1-2H3,(H,29,32)(H2,27,28,31)
Standard InChI Key: XHVZHQXFJHMHSE-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: 556.67 | Molecular Weight (Monoisotopic): 556.1450 | AlogP: 3.31 | #Rotatable Bonds: 5 |
| Polar Surface Area: 141.75 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.52 | CX Basic pKa: | CX LogP: 4.26 | CX LogD: 2.38 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.44 | Np Likeness Score: -1.14 |
References
| 1. (2009) Ion channel modulators and uses thereof, |
Source
Source(1):