| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3184626
Max Phase: Preclinical
Molecular Formula: C16H11BrN2O4S
Molecular Weight: 407.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C16H11BrN2O4S/c17-9-5-7-10(8-6-9)24(22,23)19-14-13(18)15(20)11-3-1-2-4-12(11)16(14)21/h1-8,19H,18H2
Standard InChI Key: YYYGEDQXOCZFFM-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: 407.25 | Molecular Weight (Monoisotopic): 405.9623 | AlogP: 1.98 | #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: 9.27 | CX Basic pKa: | CX LogP: 1.38 | CX LogD: 1.37 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.81 | Np Likeness Score: -0.70 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):