| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5281479
Max Phase: Preclinical
Molecular Formula: C14H8F2N2O2S
Molecular Weight: 306.29
Associated Items:
Representations
Canonical SMILES: O=C(Nc1nccs1)c1ccc(-c2c(F)cccc2F)o1
Standard InChI: InChI=1S/C14H8F2N2O2S/c15-8-2-1-3-9(16)12(8)10-4-5-11(20-10)13(19)18-14-17-6-7-21-14/h1-7H,(H,17,18,19)
Standard InChI Key: OPJSAWSSEAUDEB-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: 306.29 | Molecular Weight (Monoisotopic): 306.0275 | AlogP: 3.93 | #Rotatable Bonds: 3 |
| Polar Surface Area: 55.13 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.74 | CX Basic pKa: | CX LogP: 3.32 | CX LogD: 3.32 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: -2.20 |
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):