| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695475
Max Phase: Preclinical
Molecular Formula: C16H15N3O3
Molecular Weight: 297.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=C(CCC(=O)O)C(=O)N2c3ccccc3NC2C1C#N
Standard InChI: InChI=1S/C16H15N3O3/c1-9-10(6-7-14(20)21)16(22)19-13-5-3-2-4-12(13)18-15(19)11(9)8-17/h2-5,11,15,18H,6-7H2,1H3,(H,20,21)
Standard InChI Key: ADRWNCJPSMZZOJ-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: 297.31 | Molecular Weight (Monoisotopic): 297.1113 | AlogP: 2.11 | #Rotatable Bonds: 3 |
| Polar Surface Area: 93.43 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.08 | CX Basic pKa: 1.13 | CX LogP: 0.99 | CX LogD: -2.45 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.89 | Np Likeness Score: -0.05 |
References
| 1. (2014) Identification of stabilizers of multimeric proteins, |
Source
Source(1):