| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115441
Max Phase: Preclinical
Molecular Formula: C16H14ClFN2O3
Molecular Weight: 336.75
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(C(=O)O)nc2)c1F
Standard InChI: InChI=1S/C16H14ClFN2O3/c1-2-11(19)9-4-5-10(17)13(14(9)18)15(21)8-3-6-12(16(22)23)20-7-8/h3-7,11H,2,19H2,1H3,(H,22,23)/t11-/m1/s1
Standard InChI Key: WYCXYAYIUCGBHR-LLVKDONJSA-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: 336.75 | Molecular Weight (Monoisotopic): 336.0677 | AlogP: 3.21 | #Rotatable Bonds: 5 |
| Polar Surface Area: 93.28 | Molecular Species: ZWITTERION | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 0.87 | CX Basic pKa: 8.72 | CX LogP: 0.77 | CX LogD: 0.78 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.82 | Np Likeness Score: -0.76 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):