| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3133413
Max Phase: Preclinical
Molecular Formula: C7H11NO4
Molecular Weight: 173.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1OC[C@@H]2C[C@H](O)[C@@H](CO)N12
Standard InChI: InChI=1S/C7H11NO4/c9-2-5-6(10)1-4-3-12-7(11)8(4)5/h4-6,9-10H,1-3H2/t4-,5+,6-/m0/s1
Standard InChI Key: KPMCMPIBYSOPPS-JKUQZMGJSA-N
Associated Targets(non-human)
Alpha-galactosidase 362 Activities
Beta-galactosidase 1278 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: 173.17 | Molecular Weight (Monoisotopic): 173.0688 | AlogP: -1.07 | #Rotatable Bonds: 1 |
| Polar Surface Area: 70.00 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -1.45 | CX LogD: -1.45 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.53 | Np Likeness Score: 1.22 |
References
| 1. Wang J, Lin T, Chen Y, Lin C, Fang J. (2013) Polyhydroxylated pyrrolidine and 2-oxapyrrolizidine as glycosidase inhibitors, 4 (5): [10.1039/C3MD00033H] |
Source
Source(1):