| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5194803
Max Phase: Preclinical
Molecular Formula: C18H12F6N4O
Molecular Weight: 414.31
Associated Items:
Representations
Canonical SMILES: FC(F)(F)Oc1cccc(Nc2nccc(Nc3ccc(C(F)(F)F)cc3)n2)c1
Standard InChI: InChI=1S/C18H12F6N4O/c19-17(20,21)11-4-6-12(7-5-11)26-15-8-9-25-16(28-15)27-13-2-1-3-14(10-13)29-18(22,23)24/h1-10H,(H2,25,26,27,28)
Standard InChI Key: HBIOFTDOZMTYCZ-UHFFFAOYSA-N
Associated Targets(non-human)
dengue virus type 1 258 Activities
dengue virus type 2 2400 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: | 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: 414.31 | Molecular Weight (Monoisotopic): 414.0915 | AlogP: 5.88 | #Rotatable Bonds: 5 |
| Polar Surface Area: 59.07 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.93 | CX Basic pKa: 4.44 | CX LogP: 6.51 | CX LogD: 6.51 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.51 | Np Likeness Score: -1.52 |
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):