| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269730
Max Phase: Preclinical
Molecular Formula: C16H14O7
Molecular Weight: 318.28
Associated Items:
Representations
Canonical SMILES: COc1cc(OC)c2c(=O)c3c(O)c(OC)ccc3oc2c1O
Standard InChI: InChI=1S/C16H14O7/c1-20-8-5-4-7-11(13(8)17)15(19)12-9(21-2)6-10(22-3)14(18)16(12)23-7/h4-6,17-18H,1-3H3
Standard InChI Key: DJDYBFKZTGFFHB-UHFFFAOYSA-N
Associated Targets(non-human)
Alpha-glucosidase 187 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: 318.28 | Molecular Weight (Monoisotopic): 318.0740 | AlogP: 2.38 | #Rotatable Bonds: 3 |
| Polar Surface Area: 98.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.63 | CX Basic pKa: | CX LogP: 2.53 | CX LogD: 2.50 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.72 | Np Likeness Score: 1.36 |
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):