| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280680
Max Phase: Preclinical
Molecular Formula: C26H17BrN4S
Molecular Weight: 497.42
Associated Items:
Representations
Canonical SMILES: Brc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3-c3c[nH]c4ccccc34)n2)cc1
Standard InChI: InChI=1S/C26H17BrN4S/c27-19-12-10-18(11-13-19)24-16-32-26(29-24)31-25(14-23(30-31)17-6-2-1-3-7-17)21-15-28-22-9-5-4-8-20(21)22/h1-16,28H
Standard InChI Key: LVEAXJUTZDJKHM-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: 497.42 | Molecular Weight (Monoisotopic): 496.0357 | AlogP: 7.57 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.50 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.04 | CX LogP: 7.90 | CX LogD: 7.90 |
| Aromatic Rings: 6 | Heavy Atoms: 32 | QED Weighted: 0.27 | Np Likeness Score: -1.25 |
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):