| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695476
Max Phase: Preclinical
Molecular Formula: C22H20N4O5S2
Molecular Weight: 484.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1C
Standard InChI: InChI=1S/C22H20N4O5S2/c1-13-6-4-5-7-15(13)12-31-17-9-8-14(11-18(17)30-2)10-16-19(23)26-21(24-20(16)27)32-22(25-26)33(3,28)29/h4-11,23H,12H2,1-3H3/b16-10+,23-19?
Standard InChI Key: JWFKTYNENPTZCD-ONVPTEKUSA-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: 484.56 | Molecular Weight (Monoisotopic): 484.0875 | AlogP: 3.20 | #Rotatable Bonds: 5 |
| Polar Surface Area: 121.48 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.51 | CX LogD: 3.51 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.65 | Np Likeness Score: -1.38 |
References
| 1. (2014) Identification of stabilizers of multimeric proteins, |
Source
Source(1):