| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2153255
Max Phase: Preclinical
Molecular Formula: C11H8F3N3O2
Molecular Weight: 271.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nc([N+](=O)[O-])cn1-c1ccc(C(F)(F)F)cc1
Standard InChI: InChI=1S/C11H8F3N3O2/c1-7-15-10(17(18)19)6-16(7)9-4-2-8(3-5-9)11(12,13)14/h2-6H,1H3
Standard InChI Key: WYLDZASROYUZTB-UHFFFAOYSA-N
Associated Targets(non-human)
Trypanosoma brucei rhodesiense 7991 Activities
L6 7924 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: 271.20 | Molecular Weight (Monoisotopic): 271.0569 | AlogP: 3.11 | #Rotatable Bonds: 2 |
| Polar Surface Area: 60.96 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.27 | CX LogP: 3.27 | CX LogD: 3.27 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.62 | Np Likeness Score: -1.78 |
References
| 1. Trunz BB, Jędrysiak R, Tweats D, Brun R, Kaiser M, Suwiński J, Torreele E.. (2011) 1-Aryl-4-nitro-1H-imidazoles, a new promising series for the treatment of human African trypanosomiasis., 46 (5): [PMID:21353728] [10.1016/j.ejmech.2011.01.071] |
Source
Source(1):