| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270813
Max Phase: Preclinical
Molecular Formula: C16H12O6
Molecular Weight: 300.27
Associated Items:
Representations
Canonical SMILES: C=Cc1cc2oc3cc(O)cc(O)c3c(=O)c2c(OC)c1O
Standard InChI: InChI=1S/C16H12O6/c1-3-7-4-10-13(16(21-2)14(7)19)15(20)12-9(18)5-8(17)6-11(12)22-10/h3-6,17-19H,1H2,2H3
Standard InChI Key: QFNWCLOENZLMOS-UHFFFAOYSA-N
Associated Targets(Human)
Alpha glucosidase 860 Activities
Molecule Features
| Natural Product: No | 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: 300.27 | Molecular Weight (Monoisotopic): 300.0634 | AlogP: 2.71 | #Rotatable Bonds: 2 |
| Polar Surface Area: 100.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.51 | CX Basic pKa: | CX LogP: 3.28 | CX LogD: 3.02 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.63 | Np Likeness Score: 1.75 |
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):