| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5268802
Max Phase: Preclinical
Molecular Formula: C18H18N2O
Molecular Weight: 278.36
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(c1)COC(c1c(C)[nH]c3ccccc13)N2
Standard InChI: InChI=1S/C18H18N2O/c1-11-7-8-15-13(9-11)10-21-18(20-15)17-12(2)19-16-6-4-3-5-14(16)17/h3-9,18-20H,10H2,1-2H3
Standard InChI Key: IUIAFXMCFYWTOC-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: 278.36 | Molecular Weight (Monoisotopic): 278.1419 | AlogP: 4.43 | #Rotatable Bonds: 1 |
| Polar Surface Area: 37.05 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.26 | CX Basic pKa: | CX LogP: 4.01 | CX LogD: 4.01 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.69 | Np Likeness Score: -0.38 |
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):