| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3730832
Max Phase: Preclinical
Molecular Formula: C16H12N4O2S3
Molecular Weight: 388.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)c1cccc(-c2csc3ncnc(Nc4nccs4)c23)c1
Standard InChI: InChI=1S/C16H12N4O2S3/c1-25(21,22)11-4-2-3-10(7-11)12-8-24-15-13(12)14(18-9-19-15)20-16-17-5-6-23-16/h2-9H,1H3,(H,17,18,19,20)
Standard InChI Key: MFVCDKHFVYHGTH-UHFFFAOYSA-N
Associated Targets(Human)
Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma 641 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: 388.50 | Molecular Weight (Monoisotopic): 388.0122 | AlogP: 3.96 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.84 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.45 | CX Basic pKa: 2.68 | CX LogP: 3.16 | CX LogD: 3.12 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.57 | Np Likeness Score: -2.29 |
References
| 1. (2012) Compounds, pharmaceutical compositions, and methods of treating or preventing neurodegenerative diseases or disorders, |
Source
Source(1):