| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4649138
Max Phase: Preclinical
Molecular Formula: C10H21NO4
Molecular Weight: 219.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C10H21NO4/c1-2-3-4-6-8(13)10(15)9(14)7(12)5-11-6/h6-15H,2-5H2,1H3/t6-,7-,8+,9-,10-/m1/s1
Standard InChI Key: UWHVTISPDNDSFT-HOTMZDKISA-N
Associated Targets(Human)
Beta-glucuronidase 537 Activities
Molecule Features
| Natural Product: No | 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: 219.28 | Molecular Weight (Monoisotopic): 219.1471 | AlogP: -1.41 | #Rotatable Bonds: 3 |
| Polar Surface Area: 92.95 | Molecular Species: BASE | HBA: 5 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.69 | CX Basic pKa: 8.78 | CX LogP: -1.06 | CX LogD: -2.45 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.40 | Np Likeness Score: 1.76 |
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):