| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3183820
Max Phase: Preclinical
Molecular Formula: C14H9NO4S2
Molecular Weight: 319.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc21
Standard InChI: InChI=1S/C14H9NO4S2/c16-12-8-11(14(17)10-5-2-1-4-9(10)12)15-21(18,19)13-6-3-7-20-13/h1-8,15H
Standard InChI Key: CCRGMRWDYPRESG-UHFFFAOYSA-N
Associated Targets(Human)
Microphthalmia-associated transcription factor 3197 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: 319.36 | Molecular Weight (Monoisotopic): 318.9973 | AlogP: 1.99 | #Rotatable Bonds: 3 |
| Polar Surface Area: 80.31 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.47 | CX Basic pKa: | CX LogP: 1.71 | CX LogD: 1.68 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.94 | Np Likeness Score: -0.84 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):