| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3311515
Max Phase: Preclinical
Molecular Formula: C16H25NO3
Molecular Weight: 279.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(CCCC[C@@H]2N[C@@H](CO)[C@H](O)[C@H]2O)cc1
Standard InChI: InChI=1S/C16H25NO3/c1-11-6-8-12(9-7-11)4-2-3-5-13-15(19)16(20)14(10-18)17-13/h6-9,13-20H,2-5,10H2,1H3/t13-,14-,15-,16-/m0/s1
Standard InChI Key: AOTIJLLHMOIGTB-VGWMRTNUSA-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: 279.38 | Molecular Weight (Monoisotopic): 279.1834 | AlogP: 0.76 | #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: 1.66 | CX LogD: -0.53 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.58 | Np Likeness Score: 1.22 |
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):