| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362739
Max Phase: Preclinical
Molecular Formula: C18H25N3O2S
Molecular Weight: 347.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CNC(=O)C1(C)CCCCCN1C(=O)c1cc(C#N)cs1
Standard InChI: InChI=1S/C18H25N3O2S/c1-13(2)11-20-17(23)18(3)7-5-4-6-8-21(18)16(22)15-9-14(10-19)12-24-15/h9,12-13H,4-8,11H2,1-3H3,(H,20,23)
Standard InChI Key: AGXWNWGWVTZXGN-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: 347.48 | Molecular Weight (Monoisotopic): 347.1667 | AlogP: 3.17 | #Rotatable Bonds: 4 |
| Polar Surface Area: 73.20 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.12 | CX LogD: 3.12 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.91 | Np Likeness Score: -0.99 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):