| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2347136
Max Phase: Preclinical
Molecular Formula: C19H19BrN2O4S
Molecular Weight: 451.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(CCCCBr)C3=O)cc1
Standard InChI: InChI=1S/C19H19BrN2O4S/c1-13-4-7-15(8-5-13)27(25,26)21-14-6-9-16-17(12-14)19(24)22(18(16)23)11-3-2-10-20/h4-9,12,21H,2-3,10-11H2,1H3
Standard InChI Key: LFAJGHQKPZRZOW-UHFFFAOYSA-N
Associated Targets(non-human)
Lactase-glycosylceramidase 87 Activities
Acidic alpha-glucosidase 551 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 451.34 | Molecular Weight (Monoisotopic): 450.0249 | AlogP: 3.57 | #Rotatable Bonds: 7 |
| Polar Surface Area: 83.55 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.66 | CX Basic pKa: | CX LogP: 3.35 | CX LogD: 3.18 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.40 | Np Likeness Score: -1.53 |
References
| 1. Bian X, Wang Q, Ke C, Zhao G, Li Y.. (2013) A new series of N2-substituted-5-(p-toluenesulfonylamino)phthalimide analogues as α-glucosidase inhibitors., 23 (7): [PMID:23466232] [10.1016/j.bmcl.2013.02.011] |
Source
Source(1):