| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695474
Max Phase: Preclinical
Molecular Formula: C17H10F3N3O2S
Molecular Weight: 377.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1nc(O)c2sc3nc(C(F)(F)F)cc(Cc4ccccc4)c3c2n1
Standard InChI: InChI=1S/C17H10F3N3O2S/c18-17(19,20)10-7-9(6-8-4-2-1-3-5-8)11-12-13(26-15(11)21-10)14(24)23-16(25)22-12/h1-5,7H,6H2,(H2,22,23,24,25)
Standard InChI Key: VCMGBFQVEWTQPX-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: 377.35 | Molecular Weight (Monoisotopic): 377.0446 | AlogP: 4.26 | #Rotatable Bonds: 2 |
| Polar Surface Area: 79.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.98 | CX Basic pKa: | CX LogP: 5.58 | CX LogD: 5.58 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.55 | Np Likeness Score: -1.07 |
References
| 1. (2014) Identification of stabilizers of multimeric proteins, |
Source
Source(1):