| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4163382
Max Phase: Preclinical
Molecular Formula: C14H5NO3S2
Molecular Weight: 299.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1c2ccccc2C(=O)c2sc3nc(=O)sc-3cc21
Standard InChI: InChI=1S/C14H5NO3S2/c16-10-6-3-1-2-4-7(6)11(17)12-8(10)5-9-13(20-12)15-14(18)19-9/h1-5H
Standard InChI Key: GXCHGNRASGQSTG-UHFFFAOYSA-N
Associated Targets(Human)
SCC-15 194 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: 299.33 | Molecular Weight (Monoisotopic): 298.9711 | AlogP: 2.45 | #Rotatable Bonds: 0 |
| Polar Surface Area: 64.10 | Molecular Species: | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.14 | CX LogD: 2.14 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.50 | Np Likeness Score: -0.19 |
References
| 1. Szychowski KA, Leja ML, Kaminskyy DV, Kryshchyshyn AP, Binduga UE, Pinyazhko OR, Lesyk RB, Tobiasz J, Gmiński J.. (2017) Anticancer properties of 4-thiazolidinone derivatives depend on peroxisome proliferator-activated receptor gamma (PPARγ)., 141 [PMID:29031063] [10.1016/j.ejmech.2017.09.071] |
Source
Source(1):