| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3931900
Max Phase: Preclinical
Molecular Formula: C32H40N4O6S2
Molecular Weight: 640.83
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccc(S(=O)(=O)NC(=O)Nc2ccc3c(c2)CCN(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC3)cc1
Standard InChI: InChI=1S/C32H40N4O6S2/c1-31(2,3)24-8-13-27(14-9-24)43(39,40)34-29(37)33-26-12-7-22-17-19-36(20-18-23(22)21-26)30(38)35-44(41,42)28-15-10-25(11-16-28)32(4,5)6/h7-16,21H,17-20H2,1-6H3,(H,35,38)(H2,33,34,37)
Standard InChI Key: HRMCSSKYZYSALC-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: 640.83 | Molecular Weight (Monoisotopic): 640.2389 | AlogP: 5.29 | #Rotatable Bonds: 5 |
| Polar Surface Area: 141.75 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.52 | CX Basic pKa: | CX LogP: 6.33 | CX LogD: 4.44 |
| Aromatic Rings: 3 | Heavy Atoms: 44 | QED Weighted: 0.35 | Np Likeness Score: -1.06 |
References
| 1. (2009) Ion channel modulators and uses thereof, |
Source
Source(1):