| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4641934
Max Phase: Preclinical
Molecular Formula: C6H10O4
Molecular Weight: 146.14
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CO[C@@]1(CO)OCCC1=O
Standard InChI: InChI=1S/C6H10O4/c1-9-6(4-7)5(8)2-3-10-6/h7H,2-4H2,1H3/t6-/m0/s1
Standard InChI Key: ATNUKGNUKYQDJJ-LURJTMIESA-N
Associated Targets(non-human)
Beta-glucuronidase 93 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 146.14 | Molecular Weight (Monoisotopic): 146.0579 | AlogP: -0.69 | #Rotatable Bonds: 2 |
| Polar Surface Area: 55.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.42 | CX Basic pKa: | CX LogP: 0.00 | CX LogD: 0.00 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.56 | Np Likeness Score: 1.73 |
References
| 1. Awolade P, Cele N, Kerru N, Gummidi L, Oluwakemi E, Singh P.. (2020) Therapeutic significance of β-glucuronidase activity and its inhibitors: A review., 187 [PMID:31835168] [10.1016/j.ejmech.2019.111921] |
Source
Source(1):