| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3184099
Max Phase: Preclinical
Molecular Formula: C16H10BrNO4S
Molecular Weight: 392.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc21
Standard InChI: InChI=1S/C16H10BrNO4S/c17-10-5-7-11(8-6-10)23(21,22)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H
Standard InChI Key: LXCAXJJUYAWUQJ-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: 392.23 | Molecular Weight (Monoisotopic): 390.9514 | AlogP: 2.69 | #Rotatable Bonds: 3 |
| Polar Surface Area: 80.31 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.29 | CX Basic pKa: | CX LogP: 2.54 | CX LogD: 2.53 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.87 | Np Likeness Score: -0.38 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):