| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3961121
Max Phase: Preclinical
Molecular Formula: C26H28N4O4S
Molecular Weight: 492.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)CCN(C(=O)NCc2ccccc2)CC3)cc1
Standard InChI: InChI=1S/C26H28N4O4S/c1-19-7-11-24(12-8-19)35(33,34)29-25(31)28-23-10-9-21-13-15-30(16-14-22(21)17-23)26(32)27-18-20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,27,32)(H2,28,29,31)
Standard InChI Key: BKXDRHXLHBXMRX-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: 492.60 | Molecular Weight (Monoisotopic): 492.1831 | AlogP: 3.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 107.61 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.60 | CX Basic pKa: | CX LogP: 4.10 | CX LogD: 3.16 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.50 | Np Likeness Score: -1.61 |
References
| 1. (2009) Ion channel modulators and uses thereof, |
Source
Source(1):