| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2238553
Max Phase: Preclinical
Molecular Formula: C16H16N2O
Molecular Weight: 252.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C(=N\NC(=O)c1ccccc1)c1ccc(C)cc1
Standard InChI: InChI=1S/C16H16N2O/c1-12-8-10-14(11-9-12)13(2)17-18-16(19)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,18,19)/b17-13+
Standard InChI Key: AWWXRFPQSOVNTR-GHRIWEEISA-N
Associated Targets(non-human)
Acidic alpha-glucosidase 551 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 252.32 | Molecular Weight (Monoisotopic): 252.1263 | AlogP: 3.15 | #Rotatable Bonds: 3 |
| Polar Surface Area: 41.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.62 | CX Basic pKa: 1.81 | CX LogP: 3.32 | CX LogD: 3.32 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.66 | Np Likeness Score: -1.49 |
References
| 1. Misra S, Pandeya KB, Tiwari AK, Ali AZ, Saradamani T, Agawane SB, Madhusudana K. (2011) Antihyperglycemic, -glucosidase inhibitory and DPPH free radical scavenging activity of 5-bromosalicylaldehyde and schiff bases, 20 (9): [10.1007/s00044-010-9377-3] |
Source
Source(1):