| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269102
Max Phase: Preclinical
Molecular Formula: C24H26O6
Molecular Weight: 410.47
Associated Items:
Representations
Canonical SMILES: C=CC(C)(C)c1c(O)ccc2c(=O)c3c(O)c(CC=C(C)C)c(OC)c(O)c3oc12
Standard InChI: InChI=1S/C24H26O6/c1-7-24(4,5)17-15(25)11-10-13-18(26)16-19(27)14(9-8-12(2)3)22(29-6)20(28)23(16)30-21(13)17/h7-8,10-11,25,27-28H,1,9H2,2-6H3
Standard InChI Key: RHYDKWXOGNKPQK-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: 410.47 | Molecular Weight (Monoisotopic): 410.1729 | AlogP: 5.04 | #Rotatable Bonds: 5 |
| Polar Surface Area: 100.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.17 | CX Basic pKa: | CX LogP: 5.96 | CX LogD: 5.51 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.31 | Np Likeness Score: 2.29 |
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):