| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2236403
Max Phase: Preclinical
Molecular Formula: C14H13NO2
Molecular Weight: 227.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(/N=C/c2ccccc2O)cc1
Standard InChI: InChI=1S/C14H13NO2/c1-17-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)16/h2-10,16H,1H3/b15-10+
Standard InChI Key: CLPLWYCYULVJFH-XNTDXEJSSA-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: 227.26 | Molecular Weight (Monoisotopic): 227.0946 | AlogP: 3.15 | #Rotatable Bonds: 3 |
| Polar Surface Area: 41.82 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.83 | CX Basic pKa: 2.49 | CX LogP: 3.39 | CX LogD: 3.37 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.82 | Np Likeness Score: -0.75 |
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):