| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114942
Max Phase: Preclinical
Molecular Formula: C18H20ClFN4O2
Molecular Weight: 378.83
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cncnc2)c1F
Standard InChI: InChI=1S/C18H20ClFN4O2/c1-3-14(24-10(2)6-15(21)25)12-4-5-13(19)16(17(12)20)18(26)11-7-22-9-23-8-11/h4-5,7-10,14,24H,3,6H2,1-2H3,(H2,21,25)/t10-,14-/m1/s1
Standard InChI Key: YCYFGNBNGWCUJL-QMTHXVAHSA-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: 378.83 | Molecular Weight (Monoisotopic): 378.1259 | AlogP: 2.80 | #Rotatable Bonds: 8 |
| Polar Surface Area: 97.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.02 | CX LogP: 2.08 | CX LogD: 1.36 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.69 | Np Likeness Score: -0.90 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):