| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2414826
Max Phase: Preclinical
Molecular Formula: C14H20FNO5
Molecular Weight: 301.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@H]1O[C@@H](CNCc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C14H20FNO5/c15-9-3-1-8(2-4-9)5-16-6-10-12(18)14(20)13(19)11(7-17)21-10/h1-4,10-14,16-20H,5-7H2/t10-,11+,12-,13+,14+/m0/s1
Standard InChI Key: CPRHGXPWSAFUOE-MEBFFEOJSA-N
Associated Targets(non-human)
Sucrase-isomaltase 908 Activities
Acidic alpha-glucosidase 551 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Oligo-1,6-glucosidase 218 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 301.31 | Molecular Weight (Monoisotopic): 301.1326 | AlogP: -1.24 | #Rotatable Bonds: 5 |
| Polar Surface Area: 102.18 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.60 | CX Basic pKa: 8.06 | CX LogP: -1.01 | CX LogD: -1.75 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.47 | Np Likeness Score: 0.25 |
References
| 1. Bian X, Fan X, Ke C, Luan Y, Zhao G, Zeng A.. (2013) Synthesis and α-glucosidase inhibitory activity evaluation of N-substituted aminomethyl-β-d-glucopyranosides., 21 (17): [PMID:23810673] [10.1016/j.bmc.2013.06.002] |
Source
Source(1):