| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114412
Max Phase: Preclinical
Molecular Formula: C16H14ClF2NO
Molecular Weight: 309.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(F)cc2)c1F
Standard InChI: InChI=1S/C16H14ClF2NO/c1-2-13(20)11-7-8-12(17)14(15(11)19)16(21)9-3-5-10(18)6-4-9/h3-8,13H,2,20H2,1H3/t13-/m1/s1
Standard InChI Key: QBDJUILHHWNVMO-CYBMUJFWSA-N
Associated Targets(non-human)
Genome polyprotein 903 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: 309.74 | Molecular Weight (Monoisotopic): 309.0732 | AlogP: 4.26 | #Rotatable Bonds: 4 |
| Polar Surface Area: 43.09 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.72 | CX LogP: 4.39 | CX LogD: 3.05 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.86 | Np Likeness Score: -0.89 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):