| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5287718
Max Phase: Preclinical
Molecular Formula: C7H4N2O2S
Molecular Weight: 180.19
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cccc2nsnc12
Standard InChI: InChI=1S/C7H4N2O2S/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3H,(H,10,11)
Standard InChI Key: ZGDGZMOKXTUMEV-UHFFFAOYSA-N
Associated Targets(non-human)
Genome polyprotein 620 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 180.19 | Molecular Weight (Monoisotopic): 179.9993 | AlogP: 1.39 | #Rotatable Bonds: 1 |
| Polar Surface Area: 63.08 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.44 | CX Basic pKa: | CX LogP: 1.77 | CX LogD: -1.62 |
| Aromatic Rings: 2 | Heavy Atoms: 12 | QED Weighted: 0.72 | Np Likeness Score: -1.43 |
References
| 1. Voss S, Nitsche C.. (2021) Targeting the protease of West Nile virus., 12 (8.0): [PMID:34458734] [10.1039/D1MD00080B] |
Source
Source(1):