| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362605
Max Phase: Preclinical
Molecular Formula: C22H26N2O4S
Molecular Weight: 414.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCc1ccc(S(=O)(=O)NC(=O)C2(C)CCN2C(=O)c2ccccc2)cc1
Standard InChI: InChI=1S/C22H26N2O4S/c1-3-4-8-17-11-13-19(14-12-17)29(27,28)23-21(26)22(2)15-16-24(22)20(25)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H,23,26)
Standard InChI Key: BYOVRDWRHSUDSL-UHFFFAOYSA-N
Associated Targets(Human)
TAR DNA-binding protein 43 40113 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: 414.53 | Molecular Weight (Monoisotopic): 414.1613 | AlogP: 3.14 | #Rotatable Bonds: 7 |
| Polar Surface Area: 83.55 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.00 | CX Basic pKa: | CX LogP: 3.92 | CX LogD: 2.98 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.75 | Np Likeness Score: -0.67 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):