| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362600
Max Phase: Preclinical
Molecular Formula: C13H18N2O3S2
Molecular Weight: 314.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H]1COc2cccc(N3CCSCC3)c2S(=O)(=O)N1
Standard InChI: InChI=1S/C13H18N2O3S2/c1-10-9-18-12-4-2-3-11(13(12)20(16,17)14-10)15-5-7-19-8-6-15/h2-4,10,14H,5-9H2,1H3/t10-/m0/s1
Standard InChI Key: JXBHOEZUHFVKNM-JTQLQIEISA-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: 314.43 | Molecular Weight (Monoisotopic): 314.0759 | AlogP: 1.30 | #Rotatable Bonds: 1 |
| Polar Surface Area: 58.64 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.90 | CX Basic pKa: | CX LogP: 1.36 | CX LogD: 1.36 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.85 | Np Likeness Score: -0.90 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):