| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA297448
Max Phase: Preclinical
Molecular Formula: C13H10N2OS
Molecular Weight: 242.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ccc[n+]2c([O-])c(-c3ccccc3)sc12
Standard InChI: InChI=1S/C13H10N2OS/c14-10-7-4-8-15-12(16)11(17-13(10)15)9-5-2-1-3-6-9/h1-8H,14H2
Standard InChI Key: JLSDEHFZEZJFLD-UHFFFAOYSA-N
Associated Targets(non-human)
Tritrichomonas suis 162 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: 242.30 | Molecular Weight (Monoisotopic): 242.0514 | AlogP: 1.81 | #Rotatable Bonds: 1 |
| Polar Surface Area: 53.18 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -1.04 | CX Basic pKa: | CX LogP: -0.07 | CX LogD: 3.12 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.66 | Np Likeness Score: -0.52 |
References
| 1. Walker KA, Sjogren EB, Matthews TR.. (1985) Antitrichomonal activity of mesoionic thiazolo[3,2-a]pyridines., 28 (11): [PMID:4067993] [10.1021/jm00149a023] |
Source
Source(1):