| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4476403
Max Phase: Preclinical
Molecular Formula: C10H8NNaO4S
Molecular Weight: 239.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1cccc2c(O)cc(S(=O)(=O)[O-])cc12.[Na+]
Standard InChI: InChI=1S/C10H9NO4S.Na/c11-9-3-1-2-7-8(9)4-6(5-10(7)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1
Standard InChI Key: YPRBOMJWBZSGGT-UHFFFAOYSA-M
Associated Targets(Human)
Dual specificity protein phosphatase 5 23 Activities
Protein-tyrosine phosphatase 1B 8528 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: Unknown | 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: 239.25 | Molecular Weight (Monoisotopic): 239.0252 | AlogP: 1.37 | #Rotatable Bonds: 1 |
| Polar Surface Area: 100.62 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -2.16 | CX Basic pKa: 3.40 | CX LogP: 0.79 | CX LogD: -1.39 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.52 | Np Likeness Score: -0.07 |
References
| 1. (2018) Small molecule antagonists of dusp5 and methods of use, |
Source
Source(1):