| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3183900
Max Phase: Preclinical
Molecular Formula: C17H12BrNO5S
Molecular Weight: 422.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O
Standard InChI: InChI=1S/C17H12BrNO5S/c1-24-17-14(15(20)12-4-2-3-5-13(12)16(17)21)19-25(22,23)11-8-6-10(18)7-9-11/h2-9,19H,1H3
Standard InChI Key: GERHOSGSRGUQJX-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: 422.26 | Molecular Weight (Monoisotopic): 420.9620 | AlogP: 2.66 | #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: 9.26 | CX Basic pKa: | CX LogP: 2.13 | CX LogD: 2.12 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.82 | Np Likeness Score: -0.39 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):