| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4591220
Max Phase: Preclinical
Molecular Formula: C14H11NO6
Molecular Weight: 289.24
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(C(=O)O)ccc1-c1cc(=O)c(O)c(C(=O)O)[nH]1
Standard InChI: InChI=1S/C14H11NO6/c1-6-4-7(13(18)19)2-3-8(6)9-5-10(16)12(17)11(15-9)14(20)21/h2-5,17H,1H3,(H,15,16)(H,18,19)(H,20,21)
Standard InChI Key: SWEWMDUQEJZUMC-UHFFFAOYSA-N
Associated Targets(non-human)
Polymerase acidic protein 806 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: 289.24 | Molecular Weight (Monoisotopic): 289.0586 | AlogP: 1.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 127.69 | Molecular Species: ACID | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.38 | CX Basic pKa: | CX LogP: 1.12 | CX LogD: -5.53 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.68 | Np Likeness Score: 0.02 |
References
| 1. Credille CV, Morrison CN, Stokes RW, Dick BL, Feng Y, Sun J, Chen Y, Cohen SM.. (2019) SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease., 62 (21): [PMID:31536340] [10.1021/acs.jmedchem.9b00747] |
Source
Source(1):