| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5281284
Max Phase: Preclinical
Molecular Formula: C15H11NO2S2
Molecular Weight: 301.39
Associated Items:
Representations
Canonical SMILES: Cc1ccc(-c2ccc(C(=O)Sc3nccs3)o2)cc1
Standard InChI: InChI=1S/C15H11NO2S2/c1-10-2-4-11(5-3-10)12-6-7-13(18-12)14(17)20-15-16-8-9-19-15/h2-9H,1H3
Standard InChI Key: SDKKLEPYYSMVMS-UHFFFAOYSA-N
Associated Targets(Human)
Alpha glucosidase 860 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 301.39 | Molecular Weight (Monoisotopic): 301.0231 | AlogP: 4.64 | #Rotatable Bonds: 3 |
| Polar Surface Area: 43.10 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.90 | CX LogP: 4.59 | CX LogD: 4.59 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.66 | Np Likeness Score: -1.43 |
References
| 1. He M, Li YJ, Shao J, Li YS, Cui ZN.. (2023) Synthesis and biological evaluation of 2,5-disubstituted furan derivatives containing 1,3-thiazole moiety as potential α-glucosidase inhibitors., 83 [PMID:36764471] [10.1016/j.bmcl.2023.129173] |
Source
Source(1):