| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5190984
Max Phase: Preclinical
Molecular Formula: C16H10BrFN4
Molecular Weight: 357.19
Associated Items:
Representations
Canonical SMILES: Fc1cc2cn[nH]c2cc1Nc1ccnc2ccc(Br)cc12
Standard InChI: InChI=1S/C16H10BrFN4/c17-10-1-2-13-11(6-10)14(3-4-19-13)21-16-7-15-9(5-12(16)18)8-20-22-15/h1-8H,(H,19,21)(H,20,22)
Standard InChI Key: DLGQWMJIUWBVRT-UHFFFAOYSA-N
Associated Targets(non-human)
Dengue virus 413 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: 357.19 | Molecular Weight (Monoisotopic): 356.0073 | AlogP: 4.76 | #Rotatable Bonds: 2 |
| Polar Surface Area: 53.60 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.30 | CX LogP: 3.81 | CX LogD: 3.77 |
| Aromatic Rings: 4 | Heavy Atoms: 22 | QED Weighted: 0.54 | Np Likeness Score: -1.69 |
References
| 1. De S, Aamna B, Sahu R, Parida S, Behera SK, Dan AK.. (2022) Seeking heterocyclic scaffolds as antivirals against dengue virus., 240 [PMID:35816877] [10.1016/j.ejmech.2022.114576] |
Source
Source(1):