| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3184898
Max Phase: Preclinical
Molecular Formula: C16H12N2O4S
Molecular Weight: 328.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C16H12N2O4S/c17-13-14(18-23(21,22)10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H,17H2
Standard InChI Key: YIYOZUPOAFLTRA-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: 328.35 | Molecular Weight (Monoisotopic): 328.0518 | AlogP: 1.21 | #Rotatable Bonds: 3 |
| Polar Surface Area: 106.33 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.84 | CX Basic pKa: | CX LogP: 0.61 | CX LogD: 0.61 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.88 | Np Likeness Score: -0.60 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):