| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA112946
Max Phase: Preclinical
Molecular Formula: C8H11N5S
Molecular Weight: 209.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)/C(S)=N/N=C/c1cccnn1
Standard InChI: InChI=1S/C8H11N5S/c1-13(2)8(14)12-10-6-7-4-3-5-9-11-7/h3-6H,1-2H3,(H,12,14)/b10-6+
Standard InChI Key: QYYCRXQIIKXERN-UXBLZVDNSA-N
Associated Targets(Human)
HuT78 515 Activities
MT4 17854 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 209.28 | Molecular Weight (Monoisotopic): 209.0735 | AlogP: 0.66 | #Rotatable Bonds: 2 |
| Polar Surface Area: 53.74 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.60 | CX Basic pKa: 3.92 | CX LogP: 0.78 | CX LogD: 0.09 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.34 | Np Likeness Score: -1.60 |
References
| 1. Easmon J, Heinisch G, Holzer W, Rosenwirth B.. (1992) Novel thiosemicarbazones derived from formyl- and acyldiazines: synthesis, effects on cell proliferation, and synergism with antiviral agents., 35 (17): [PMID:1354751] [10.1021/jm00095a027] |
Source
Source(1):