| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3185741
Max Phase: Preclinical
Molecular Formula: C14H10N2O4S2
Molecular Weight: 334.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C14H10N2O4S2/c15-11-12(16-22(19,20)10-6-3-7-21-10)14(18)9-5-2-1-4-8(9)13(11)17/h1-7,16H,15H2
Standard InChI Key: NPCKKXBEDMGYHD-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: 334.38 | Molecular Weight (Monoisotopic): 334.0082 | AlogP: 1.28 | #Rotatable Bonds: 3 |
| Polar Surface Area: 106.33 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.45 | CX Basic pKa: | CX LogP: 0.56 | CX LogD: 0.53 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.88 | Np Likeness Score: -1.16 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):