| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280071
Max Phase: Preclinical
Molecular Formula: C25H26O7
Molecular Weight: 438.48
Associated Items:
Representations
Canonical SMILES: C=C(C)/C=C/c1c(OC)c(OC)cc2oc3cc(O)c(CC(O)C(=C)C)c(O)c3c(=O)c12
Standard InChI: InChI=1S/C25H26O7/c1-12(2)7-8-14-21-19(11-20(30-5)25(14)31-6)32-18-10-17(27)15(9-16(26)13(3)4)23(28)22(18)24(21)29/h7-8,10-11,16,26-28H,1,3,9H2,2,4-6H3/b8-7+
Standard InChI Key: OBBTYSUZBXZYBV-BQYQJAHWSA-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: 438.48 | Molecular Weight (Monoisotopic): 438.1679 | AlogP: 4.44 | #Rotatable Bonds: 7 |
| Polar Surface Area: 109.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.71 | CX Basic pKa: | CX LogP: 4.75 | CX LogD: 4.58 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.28 | Np Likeness Score: 2.09 |
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):