| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271822
Max Phase: Preclinical
Molecular Formula: C16H10O8
Molecular Weight: 330.25
Associated Items:
Representations
Canonical SMILES: COC(=O)c1c(O)ccc2oc3cc(C(=O)O)cc(O)c3c(=O)c12
Standard InChI: InChI=1S/C16H10O8/c1-23-16(22)12-7(17)2-3-9-13(12)14(19)11-8(18)4-6(15(20)21)5-10(11)24-9/h2-5,17-18H,1H3,(H,20,21)
Standard InChI Key: SEEWMSOVGSUOJV-UHFFFAOYSA-N
Associated Targets(non-human)
Alpha-glucosidase 187 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 330.25 | Molecular Weight (Monoisotopic): 330.0376 | AlogP: 1.84 | #Rotatable Bonds: 2 |
| Polar Surface Area: 134.27 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.33 | CX Basic pKa: | CX LogP: 3.31 | CX LogD: -0.15 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.48 | Np Likeness Score: 1.13 |
References
| 1. Santos CMM, Freitas M, Fernandes E.. (2018) A comprehensive review on xanthone derivatives as α-glucosidase inhibitors., 157 [PMID:30282319] [10.1016/j.ejmech.2018.07.073] |
Source
Source(1):