| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3729001
Max Phase: Preclinical
Molecular Formula: C19H13N5O2S3
Molecular Weight: 439.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)c1cccc(-c2csc3ncnc(-n4nc5ccccn5c4=S)c23)c1
Standard InChI: InChI=1S/C19H13N5O2S3/c1-29(25,26)13-6-4-5-12(9-13)14-10-28-18-16(14)17(20-11-21-18)24-19(27)23-8-3-2-7-15(23)22-24/h2-11H,1H3
Standard InChI Key: RFVNSHADNWTOPC-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: 439.55 | Molecular Weight (Monoisotopic): 439.0231 | AlogP: 3.93 | #Rotatable Bonds: 3 |
| Polar Surface Area: 82.15 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.66 | CX LogD: 3.66 |
| Aromatic Rings: 5 | Heavy Atoms: 29 | QED Weighted: 0.40 | Np Likeness Score: -2.39 |
References
| 1. (2012) Compounds, pharmaceutical compositions, and methods of treating or preventing neurodegenerative diseases or disorders, |
Source
Source(1):