| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3730934
Max Phase: Preclinical
Molecular Formula: C18H17N5O2S2
Molecular Weight: 399.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(Nc2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)n(C)n1
Standard InChI: InChI=1S/C18H17N5O2S2/c1-11-7-15(23(2)22-11)21-17-16-14(9-26-18(16)20-10-19-17)12-5-4-6-13(8-12)27(3,24)25/h4-10H,1-3H3,(H,19,20,21)
Standard InChI Key: LBBYRBJOFMSQCF-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: 399.50 | Molecular Weight (Monoisotopic): 399.0824 | AlogP: 3.55 | #Rotatable Bonds: 4 |
| Polar Surface Area: 89.77 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.06 | CX LogP: 2.46 | CX LogD: 2.46 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.56 | Np Likeness Score: -2.38 |
References
| 1. (2012) Compounds, pharmaceutical compositions, and methods of treating or preventing neurodegenerative diseases or disorders, |
Source
Source(1):