| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3189068
Max Phase: Preclinical
Molecular Formula: C7H9N5O2S2
Molecular Weight: 259.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CSc1nc(N)c2c(n1)N(C)C=NS2(=O)=O
Standard InChI: InChI=1S/C7H9N5O2S2/c1-12-3-9-16(13,14)4-5(8)10-7(15-2)11-6(4)12/h3H,1-2H3,(H2,8,10,11)
Standard InChI Key: IHMDDIHFHVUQEH-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 1 22556 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: 259.32 | Molecular Weight (Monoisotopic): 259.0198 | AlogP: -0.05 | #Rotatable Bonds: 1 |
| Polar Surface Area: 101.54 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.66 | CX LogP: 0.26 | CX LogD: 0.26 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.56 | Np Likeness Score: -1.31 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):