| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732475
Max Phase: Preclinical
Molecular Formula: C16H13N5O2S3
Molecular Weight: 403.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nnc(Nc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)s1
Standard InChI: InChI=1S/C16H13N5O2S3/c1-9-20-21-16(25-9)19-14-13-12(7-24-15(13)18-8-17-14)10-4-3-5-11(6-10)26(2,22)23/h3-8H,1-2H3,(H,17,18,19,21)
Standard InChI Key: HTHLEEXXMNUPLU-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: 403.51 | Molecular Weight (Monoisotopic): 403.0231 | AlogP: 3.67 | #Rotatable Bonds: 4 |
| Polar Surface Area: 97.73 | Molecular Species: ACID | HBA: 9 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.00 | CX Basic pKa: 2.58 | CX LogP: 2.40 | CX LogD: 1.19 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.56 | Np Likeness Score: -2.49 |
References
| 1. (2012) Compounds, pharmaceutical compositions, and methods of treating or preventing neurodegenerative diseases or disorders, |
Source
Source(1):