| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3916565
Max Phase: Preclinical
Molecular Formula: C19H16Cl2N2O4S2
Molecular Weight: 471.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2ccc(Cl)c(Cl)c2)c1
Standard InChI: InChI=1S/C19H16Cl2N2O4S2/c1-22-29(26,27)19-8-3-2-7-18(19)23-28(24,25)15-6-4-5-13(11-15)14-9-10-16(20)17(21)12-14/h2-12,22-23H,1H3
Standard InChI Key: YIIIGFOFCJCKBI-UHFFFAOYSA-N
Associated Targets(Human)
Prostaglandin E synthase 2 329 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: 471.39 | Molecular Weight (Monoisotopic): 469.9929 | AlogP: 4.37 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.34 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.70 | CX Basic pKa: | CX LogP: 4.15 | CX LogD: 3.56 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.56 | Np Likeness Score: -1.65 |
References
| 1. (2015) Bis-(sulfonylamino) derivatives for use in therapy, |
Source
Source(1):