| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732136
Max Phase: Preclinical
Molecular Formula: C19H16N4O2S2
Molecular Weight: 396.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)c1cccc(-c2csc3ncnc(NCc4ccccn4)c23)c1
Standard InChI: InChI=1S/C19H16N4O2S2/c1-27(24,25)15-7-4-5-13(9-15)16-11-26-19-17(16)18(22-12-23-19)21-10-14-6-2-3-8-20-14/h2-9,11-12H,10H2,1H3,(H,21,22,23)
Standard InChI Key: NNGFDDHHLUNLEH-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: 396.50 | Molecular Weight (Monoisotopic): 396.0715 | AlogP: 3.77 | #Rotatable Bonds: 5 |
| Polar Surface Area: 84.84 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.00 | CX LogP: 2.44 | CX LogD: 2.44 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.55 | Np Likeness Score: -2.27 |
References
| 1. (2012) Compounds, pharmaceutical compositions, and methods of treating or preventing neurodegenerative diseases or disorders, |
Source
Source(1):