| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3675777
Max Phase: Preclinical
Molecular Formula: C13H11N3O2S
Molecular Weight: 273.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)c1ccc2nc(-c3ccccn3)[nH]c2c1
Standard InChI: InChI=1S/C13H11N3O2S/c1-19(17,18)9-5-6-10-12(8-9)16-13(15-10)11-4-2-3-7-14-11/h2-8H,1H3,(H,15,16)
Standard InChI Key: VZAAGGBNTMRUDW-UHFFFAOYSA-N
Associated Targets(Human)
Core-binding factor subunit beta 36 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: 273.32 | Molecular Weight (Monoisotopic): 273.0572 | AlogP: 2.03 | #Rotatable Bonds: 2 |
| Polar Surface Area: 75.71 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.32 | CX Basic pKa: 1.73 | CX LogP: 1.29 | CX LogD: 1.25 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.77 | Np Likeness Score: -1.88 |
References
| 1. (2014) Inhibitors of inv(16) leukemia, |
Source
Source(1):