| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3186570
Max Phase: Preclinical
Molecular Formula: C17H13NO5S
Molecular Weight: 343.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C17H13NO5S/c1-23-17-14(18-24(21,22)11-7-3-2-4-8-11)15(19)12-9-5-6-10-13(12)16(17)20/h2-10,18H,1H3
Standard InChI Key: LKCPTVQNDDGHLO-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: 343.36 | Molecular Weight (Monoisotopic): 343.0514 | AlogP: 1.90 | #Rotatable Bonds: 4 |
| Polar Surface Area: 89.54 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.82 | CX Basic pKa: | CX LogP: 1.36 | CX LogD: 1.36 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.92 | Np Likeness Score: -0.28 |
References
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
Source
Source(1):