| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4649323
Max Phase: Preclinical
Molecular Formula: C16H14O5
Molecular Weight: 286.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Oc1cccc(/C=C2\C(O)Oc3ccccc3C2O)c1O
Standard InChI: InChI=1S/C16H14O5/c17-12-6-3-4-9(14(12)18)8-11-15(19)10-5-1-2-7-13(10)21-16(11)20/h1-8,15-20H/b11-8-
Standard InChI Key: RPJPKEJLQFTTNZ-FLIBITNWSA-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: 286.28 | Molecular Weight (Monoisotopic): 286.0841 | AlogP: 1.93 | #Rotatable Bonds: 1 |
| Polar Surface Area: 90.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.17 | CX Basic pKa: | CX LogP: 1.95 | CX LogD: 1.94 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.60 | Np Likeness Score: 0.83 |
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):