| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266537
Max Phase: Preclinical
Molecular Formula: C22H17ClN2O
Molecular Weight: 360.84
Associated Items:
Representations
Canonical SMILES: Clc1ccc2c(c1)COC(c1c(-c3ccccc3)[nH]c3ccccc13)N2
Standard InChI: InChI=1S/C22H17ClN2O/c23-16-10-11-18-15(12-16)13-26-22(25-18)20-17-8-4-5-9-19(17)24-21(20)14-6-2-1-3-7-14/h1-12,22,24-25H,13H2
Standard InChI Key: RHIRHHVHKNINDZ-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: 360.84 | Molecular Weight (Monoisotopic): 360.1029 | AlogP: 6.13 | #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: 11.61 | CX Basic pKa: | CX LogP: 5.47 | CX LogD: 5.47 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.45 | Np Likeness Score: -0.36 |
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):