| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980134
Max Phase: Preclinical
Molecular Formula: C24H24N4O6S2
Molecular Weight: 528.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)CN(C(=O)NS(=O)(=O)c2ccc(C)cc2)C3)cc1
Standard InChI: InChI=1S/C24H24N4O6S2/c1-16-3-9-21(10-4-16)35(31,32)26-23(29)25-20-8-7-18-14-28(15-19(18)13-20)24(30)27-36(33,34)22-11-5-17(2)6-12-22/h3-13H,14-15H2,1-2H3,(H,27,30)(H2,25,26,29)
Standard InChI Key: SPUDJXUKNCSCHD-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: 528.61 | Molecular Weight (Monoisotopic): 528.1137 | AlogP: 3.23 | #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: 3.51 | CX Basic pKa: | CX LogP: 3.69 | CX LogD: 1.80 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.46 | Np Likeness Score: -1.15 |
References
| 1. (2009) Ion channel modulators and uses thereof, |
Source
Source(1):