| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2236405
Max Phase: Preclinical
Molecular Formula: C13H10BrNO
Molecular Weight: 276.13
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1ccc(Br)cc1/C=N/c1ccccc1
Standard InChI: InChI=1S/C13H10BrNO/c14-11-6-7-13(16)10(8-11)9-15-12-4-2-1-3-5-12/h1-9,16H/b15-9+
Standard InChI Key: UBWNXKBHOIRKNG-OQLLNIDSSA-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: 276.13 | Molecular Weight (Monoisotopic): 274.9946 | AlogP: 3.91 | #Rotatable Bonds: 2 |
| Polar Surface Area: 32.59 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.41 | CX Basic pKa: 1.63 | CX LogP: 4.31 | CX LogD: 4.27 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.83 | Np Likeness Score: -0.96 |
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):