| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4592775
Max Phase: Preclinical
Molecular Formula: C13H11NO4
Molecular Weight: 245.23
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(NCc1cc(=O)c(O)co1)c1ccccc1
Standard InChI: InChI=1S/C13H11NO4/c15-11-6-10(18-8-12(11)16)7-14-13(17)9-4-2-1-3-5-9/h1-6,8,16H,7H2,(H,14,17)
Standard InChI Key: FMDNEDOPPMNARQ-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: 245.23 | Molecular Weight (Monoisotopic): 245.0688 | AlogP: 1.28 | #Rotatable Bonds: 3 |
| Polar Surface Area: 79.54 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.20 | CX Basic pKa: | CX LogP: 1.07 | CX LogD: 1.06 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.85 | Np Likeness Score: -0.36 |
References
| 1. Credille CV, Chen Y, Cohen SM.. (2016) Fragment-Based Identification of Influenza Endonuclease Inhibitors., 59 (13): [PMID:27291165] [10.1021/acs.jmedchem.6b00628] |
Source
Source(1):