| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3145120
Max Phase: Preclinical
Molecular Formula: C13H14N2O4
Molecular Weight: 262.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)c1CCO
Standard InChI: InChI=1S/C13H14N2O4/c1-8-11(6-7-16)12(17)15(14-8)10-4-2-9(3-5-10)13(18)19/h2-5,14,16H,6-7H2,1H3,(H,18,19)
Standard InChI Key: BCBQTDQZKWLDJB-UHFFFAOYSA-N
Associated Targets(Human)
Lysosomal alpha-glucosidase 35701 Activities
DNA-(apurinic or apyrimidinic site) lyase 38016 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Calpain 2 1172 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Beta-lactamase AmpC 62480 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: 262.27 | Molecular Weight (Monoisotopic): 262.0954 | AlogP: 0.71 | #Rotatable Bonds: 4 |
| Polar Surface Area: 95.32 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.09 | CX Basic pKa: 1.07 | CX LogP: 0.34 | CX LogD: -3.10 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.76 | Np Likeness Score: -0.63 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):