| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5089571
Max Phase: Preclinical
Molecular Formula: C19H15FN4OS
Molecular Weight: 366.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc(-c3csc(Nc4ccc(O)cc4)n3)cc2F)cn1
Standard InChI: InChI=1S/C19H15FN4OS/c1-12-9-24(11-21-12)18-7-2-13(8-16(18)20)17-10-26-19(23-17)22-14-3-5-15(25)6-4-14/h2-11,25H,1H3,(H,22,23)
Standard InChI Key: QXOJWCUHOHXXTA-UHFFFAOYSA-N
Associated Targets(Human)
Gamma-secretase 4915 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 366.42 | Molecular Weight (Monoisotopic): 366.0951 | AlogP: 4.89 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.97 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.28 | CX Basic pKa: 5.85 | CX LogP: 4.52 | CX LogD: 4.51 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.50 | Np Likeness Score: -1.81 |
References
| 1. Bhattarai S, Liu L, Wolfe MS.. (2021) Discovery of aryl aminothiazole γ-secretase modulators with novel effects on amyloid β-peptide production., 54 [PMID:34767913] [10.1016/j.bmcl.2021.128446] |
Source
Source(1):