| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4586729
Max Phase: Preclinical
Molecular Formula: C12H11NO2
Molecular Weight: 201.22
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(=O)c(O)cn1-c1ccccc1
Standard InChI: InChI=1S/C12H11NO2/c1-9-7-11(14)12(15)8-13(9)10-5-3-2-4-6-10/h2-8,15H,1H3
Standard InChI Key: OFJQBVKWCBDTBQ-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: 201.22 | Molecular Weight (Monoisotopic): 201.0790 | AlogP: 1.85 | #Rotatable Bonds: 1 |
| Polar Surface Area: 42.23 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.26 | CX Basic pKa: 2.33 | CX LogP: 2.35 | CX LogD: 2.35 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.76 | Np Likeness Score: -0.61 |
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):