| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3917835
Max Phase: Preclinical
Molecular Formula: C24H22Cl2N4O6S2
Molecular Weight: 597.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc2c(c1)CCN(C(=O)NS(=O)(=O)c1ccccc1Cl)CC2)NS(=O)(=O)c1ccccc1Cl
Standard InChI: InChI=1S/C24H22Cl2N4O6S2/c25-19-5-1-3-7-21(19)37(33,34)28-23(31)27-18-10-9-16-11-13-30(14-12-17(16)15-18)24(32)29-38(35,36)22-8-4-2-6-20(22)26/h1-10,15H,11-14H2,(H,29,32)(H2,27,28,31)
Standard InChI Key: PAVKVAVLFSSLRE-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: 597.50 | Molecular Weight (Monoisotopic): 596.0358 | AlogP: 4.00 | #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: 2.46 | CX Basic pKa: | CX LogP: 4.45 | CX LogD: 2.56 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.41 | Np Likeness Score: -1.29 |
References
| 1. (2009) Ion channel modulators and uses thereof, |
Source
Source(1):