| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3311518
Max Phase: Preclinical
Molecular Formula: C15H22FNO3
Molecular Weight: 283.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@@H]1N[C@@H](CCCCc2ccc(F)cc2)[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C15H22FNO3/c16-11-7-5-10(6-8-11)3-1-2-4-12-14(19)15(20)13(9-18)17-12/h5-8,12-15,17-20H,1-4,9H2/t12-,13-,14-,15-/m0/s1
Standard InChI Key: NCIBNAATYWGBOH-AJNGGQMLSA-N
Associated Targets(non-human)
Acidic alpha-glucosidase 551 Activities
Sucrase-isomaltase 908 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 283.34 | Molecular Weight (Monoisotopic): 283.1584 | AlogP: 0.59 | #Rotatable Bonds: 6 |
| Polar Surface Area: 72.72 | Molecular Species: BASE | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.22 | CX Basic pKa: 9.63 | CX LogP: 1.29 | CX LogD: -0.90 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.58 | Np Likeness Score: 0.96 |
References
| 1. Natori Y, Sakuma T, Yoshimura Y, Kinami K, Hirokami Y, Sato K, Adachi I, Kato A, Takahata H.. (2014) Synthesis and biological evaluation of α-1-C-4'-arylbutyl-L-arabinoiminofuranoses, a new class of α-glucosidase inhibitors., 24 (15): [PMID:24973028] [10.1016/j.bmcl.2014.06.001] |
Source
Source(1):