| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362097
Max Phase: Preclinical
Molecular Formula: C11H15N3OS
Molecular Weight: 237.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CSc1nnc(-c2ccco2)n1C
Standard InChI: InChI=1S/C11H15N3OS/c1-8(2)7-16-11-13-12-10(14(11)3)9-5-4-6-15-9/h4-6,8H,7H2,1-3H3
Standard InChI Key: JBSOZHCOGFJGKX-UHFFFAOYSA-N
Associated Targets(Human)
Probable global transcription activator SNF2L2 466 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: 237.33 | Molecular Weight (Monoisotopic): 237.0936 | AlogP: 2.82 | #Rotatable Bonds: 4 |
| Polar Surface Area: 43.85 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.48 | CX LogP: 2.66 | CX LogD: 2.66 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.77 | Np Likeness Score: -2.54 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):