| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115269
Max Phase: Preclinical
Molecular Formula: C19H21ClFN5O2
Molecular Weight: 405.86
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H](CC(N)=O)N[C@@H](c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F)C1CC1
Standard InChI: InChI=1S/C19H21ClFN5O2/c1-9(6-15(23)27)26-18(10-2-3-10)11-4-5-12(20)16(17(11)21)19(28)13-7-25-14(22)8-24-13/h4-5,7-10,18,26H,2-3,6H2,1H3,(H2,22,25)(H2,23,27)/t9-,18-/m1/s1
Standard InChI Key: OCYIQPMQPBJKNQ-DYBLOJMWSA-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: 405.86 | Molecular Weight (Monoisotopic): 405.1368 | AlogP: 2.39 | #Rotatable Bonds: 8 |
| Polar Surface Area: 123.99 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.07 | CX LogP: 1.62 | CX LogD: 0.86 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.58 | Np Likeness Score: -0.63 |
References
| 1. (2015) Pharmaceutical compounds, |
Source
Source(1):