| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1434913
Max Phase: Preclinical
Molecular Formula: C15H13NO2S2
Molecular Weight: 303.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C)c1SC1=NS(=O)(=O)c2ccccc21
Standard InChI: InChI=1S/C15H13NO2S2/c1-10-6-5-7-11(2)14(10)19-15-12-8-3-4-9-13(12)20(17,18)16-15/h3-9H,1-2H3
Standard InChI Key: CMXIVYUMODGARS-UHFFFAOYSA-N
Associated Targets(non-human)
PYK Pyruvate kinase (6726 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: 303.41 | Molecular Weight (Monoisotopic): 303.0388 | AlogP: 3.54 | #Rotatable Bonds: 1 |
| Polar Surface Area: 46.50 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.12 | CX LogD: 4.12 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.81 | Np Likeness Score: -1.23 |
References
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
Source
Source(1):