| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695473
Max Phase: Preclinical
Molecular Formula: C12H7Br2NO3S
Molecular Weight: 405.07
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C(Br)=CC(=NS(=O)(=O)c2ccccc2)C=C1Br
Standard InChI: InChI=1S/C12H7Br2NO3S/c13-10-6-8(7-11(14)12(10)16)15-19(17,18)9-4-2-1-3-5-9/h1-7H
Standard InChI Key: DLDKUYJBRIGKML-UHFFFAOYSA-N
Associated Targets(Human)
Transthyretin 2847 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: 405.07 | Molecular Weight (Monoisotopic): 402.8513 | AlogP: 2.96 | #Rotatable Bonds: 2 |
| Polar Surface Area: 63.57 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.29 | CX LogD: 3.29 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.71 | Np Likeness Score: -0.73 |
References
| 1. (2014) Identification of stabilizers of multimeric proteins, |
Source
Source(1):