| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695471
Max Phase: Preclinical
Molecular Formula: C17H12N4OS2
Molecular Weight: 352.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CSC1=NSC2=NC(=O)/C(=C\c3cccc4ccccc34)C(=N)N12
Standard InChI: InChI=1S/C17H12N4OS2/c1-23-17-20-24-16-19-15(22)13(14(18)21(16)17)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-9,18H,1H3/b13-9-,18-14?
Standard InChI Key: UUYGEGVBCPXEGL-KXXGJRMMSA-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: 352.44 | Molecular Weight (Monoisotopic): 352.0453 | AlogP: 3.78 | #Rotatable Bonds: 1 |
| Polar Surface Area: 68.88 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.48 | CX LogD: 4.48 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.63 | Np Likeness Score: -1.60 |
References
| 1. (2014) Identification of stabilizers of multimeric proteins, |
Source
Source(1):