| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115574
Max Phase: Preclinical
Molecular Formula: C18H20ClFN2O2
Molecular Weight: 350.82
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](N[C@H](C)CO)c1ccc(Cl)c(C(=O)c2cccnc2)c1F
Standard InChI: InChI=1S/C18H20ClFN2O2/c1-3-15(22-11(2)10-23)13-6-7-14(19)16(17(13)20)18(24)12-5-4-8-21-9-12/h4-9,11,15,22-23H,3,10H2,1-2H3/t11-,15-/m1/s1
Standard InChI Key: AMNLKVFPQJHGHN-IAQYHMDHSA-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: 350.82 | Molecular Weight (Monoisotopic): 350.1197 | AlogP: 3.53 | #Rotatable Bonds: 7 |
| Polar Surface Area: 62.22 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.07 | CX LogP: 3.19 | CX LogD: 2.43 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.75 | Np Likeness Score: -0.94 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):