| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115040
Max Phase: Preclinical
Molecular Formula: C18H18ClFN2O2
Molecular Weight: 348.81
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccc3c(c2)OCCN3)c1F
Standard InChI: InChI=1S/C18H18ClFN2O2/c1-2-13(21)11-4-5-12(19)16(17(11)20)18(23)10-3-6-14-15(9-10)24-8-7-22-14/h3-6,9,13,22H,2,7-8,21H2,1H3/t13-/m1/s1
Standard InChI Key: GJPBZZJNXQYRTG-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: 348.81 | Molecular Weight (Monoisotopic): 348.1041 | AlogP: 3.92 | #Rotatable Bonds: 4 |
| Polar Surface Area: 64.35 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.72 | CX LogP: 3.39 | CX LogD: 2.05 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.82 | Np Likeness Score: -0.68 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):