| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4581354
Max Phase: Preclinical
Molecular Formula: C14H15NO4
Molecular Weight: 261.28
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(N(C)Cc2cc(=O)c(O)co2)cc1
Standard InChI: InChI=1S/C14H15NO4/c1-15(10-3-5-11(18-2)6-4-10)8-12-7-13(16)14(17)9-19-12/h3-7,9,17H,8H2,1-2H3
Standard InChI Key: YWBSEKVNARDIKJ-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: 261.28 | Molecular Weight (Monoisotopic): 261.1001 | AlogP: 1.99 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.91 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.57 | CX Basic pKa: 2.50 | CX LogP: 1.94 | CX LogD: 1.94 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.91 | Np Likeness Score: -0.23 |
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):