| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695477
Max Phase: Preclinical
Molecular Formula: C14H11Br2NO2
Molecular Weight: 385.06
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NCc1cc(Br)cc(Br)c1O)c1ccccc1
Standard InChI: InChI=1S/C14H11Br2NO2/c15-11-6-10(13(18)12(16)7-11)8-17-14(19)9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19)
Standard InChI Key: OWQKOVGAVCGSTE-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: 385.06 | Molecular Weight (Monoisotopic): 382.9157 | AlogP: 3.85 | #Rotatable Bonds: 3 |
| Polar Surface Area: 49.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.41 | CX Basic pKa: | CX LogP: 4.01 | CX LogD: 3.71 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.84 | Np Likeness Score: -0.78 |
References
| 1. (2014) Identification of stabilizers of multimeric proteins, |
Source
Source(1):