| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3185543
Max Phase: Preclinical
Molecular Formula: C19H18BrN3O4S2
Molecular Weight: 496.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(C2=C(NS(=O)(=O)c3ccc(Br)s3)C(=O)c3ccccc3C2=O)CC1
Standard InChI: InChI=1S/C19H18BrN3O4S2/c1-22-8-10-23(11-9-22)17-16(21-29(26,27)15-7-6-14(20)28-15)18(24)12-4-2-3-5-13(12)19(17)25/h2-7,21H,8-11H2,1H3
Standard InChI Key: CBHFACOKWLRRBN-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: 496.41 | Molecular Weight (Monoisotopic): 494.9922 | AlogP: 2.33 | #Rotatable Bonds: 4 |
| Polar Surface Area: 86.79 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.79 | CX Basic pKa: 5.89 | CX LogP: 2.06 | CX LogD: 2.01 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.70 | Np Likeness Score: -1.30 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):