| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266267
Max Phase: Preclinical
Molecular Formula: C23H20N2O
Molecular Weight: 340.43
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(c1)COC(c1c(-c3ccccc3)[nH]c3ccccc13)N2
Standard InChI: InChI=1S/C23H20N2O/c1-15-11-12-19-17(13-15)14-26-23(25-19)21-18-9-5-6-10-20(18)24-22(21)16-7-3-2-4-8-16/h2-13,23-25H,14H2,1H3
Standard InChI Key: NMLICYADOKUHDI-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: 340.43 | Molecular Weight (Monoisotopic): 340.1576 | AlogP: 5.78 | #Rotatable Bonds: 2 |
| Polar Surface Area: 37.05 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.24 | CX Basic pKa: | CX LogP: 5.38 | CX LogD: 5.38 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.48 | Np Likeness Score: -0.22 |
References
| 1. Zhu Y, Zhao J, Luo L, Gao Y, Bao H, Li P, Zhang H.. (2021) Research progress of indole compounds with potential antidiabetic activity., 223 [PMID:34192642] [10.1016/j.ejmech.2021.113665] |
Source
Source(1):