| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115038
Max Phase: Preclinical
Molecular Formula: C17H17ClFNO2
Molecular Weight: 321.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F
Standard InChI: InChI=1S/C17H17ClFNO2/c1-2-14(20)12-7-8-13(18)15(16(12)19)17(22)11-5-3-10(9-21)4-6-11/h3-8,14,21H,2,9,20H2,1H3/t14-/m1/s1
Standard InChI Key: HLQMQGUTRBWHJD-CQSZACIVSA-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): 321.0932 | AlogP: 3.61 | #Rotatable Bonds: 5 |
| Polar Surface Area: 63.32 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.72 | CX LogP: 3.48 | CX LogD: 2.14 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.83 | Np Likeness Score: -0.41 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):