| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732764
Max Phase: Preclinical
Molecular Formula: C15H11N5O2S3
Molecular Weight: 389.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)c1cccc(-c2csc3ncnc(Sc4nnc[nH]4)c23)c1
Standard InChI: InChI=1S/C15H11N5O2S3/c1-25(21,22)10-4-2-3-9(5-10)11-6-23-13-12(11)14(17-7-16-13)24-15-18-8-19-20-15/h2-8H,1H3,(H,18,19,20)
Standard InChI Key: CAPYQMUNLCCBNV-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: 389.49 | Molecular Weight (Monoisotopic): 389.0075 | AlogP: 3.03 | #Rotatable Bonds: 4 |
| Polar Surface Area: 101.49 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.25 | CX Basic pKa: 1.85 | CX LogP: 2.17 | CX LogD: 2.12 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.54 | Np Likeness Score: -2.30 |
References
| 1. (2012) Compounds, pharmaceutical compositions, and methods of treating or preventing neurodegenerative diseases or disorders, |
Source
Source(1):