| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4641216
Max Phase: Preclinical
Molecular Formula: C16H13NO4
Molecular Weight: 283.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)C1C(c2ccccc2)c2ccccc2C(=O)N1O
Standard InChI: InChI=1S/C16H13NO4/c18-15-12-9-5-4-8-11(12)13(10-6-2-1-3-7-10)14(16(19)20)17(15)21/h1-9,13-14,21H,(H,19,20)
Standard InChI Key: GIAADGSVMRLUFO-UHFFFAOYSA-N
Associated Targets(non-human)
Hepatitis C virus NS5B RNA-dependent RNA polymerase 3026 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 283.28 | Molecular Weight (Monoisotopic): 283.0845 | AlogP: 2.12 | #Rotatable Bonds: 2 |
| Polar Surface Area: 77.84 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.49 | CX Basic pKa: | CX LogP: 2.27 | CX LogD: -1.33 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.83 | Np Likeness Score: 0.13 |
References
| 1. Ganta NM, Gedda G, Rathnakar B, Satyanarayana M, Yamajala B, Ahsan MJ, Jadav SS, Balaraju T.. (2019) A review on HCV inhibitors: Significance of non-structural polyproteins., 164 [PMID:30639895] [10.1016/j.ejmech.2018.12.045] |
Source
Source(1):