| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114428
Max Phase: Preclinical
Molecular Formula: C16H17ClFN3O
Molecular Weight: 321.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F
Standard InChI: InChI=1S/C16H17ClFN3O/c1-2-3-12(19)10-5-6-11(17)14(15(10)18)16(22)9-4-7-13(20)21-8-9/h4-8,12H,2-3,19H2,1H3,(H2,20,21)/t12-/m1/s1
Standard InChI Key: IKDJZIULEMEWAK-GFCCVEGCSA-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: 321.78 | Molecular Weight (Monoisotopic): 321.1044 | AlogP: 3.49 | #Rotatable Bonds: 5 |
| Polar Surface Area: 82.00 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.71 | CX LogP: 3.24 | CX LogD: 1.91 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.83 | Np Likeness Score: -0.37 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):