| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4586558
Max Phase: Preclinical
Molecular Formula: C9H13NO2
Molecular Weight: 167.21
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(=O)c(O)cn1C(C)C
Standard InChI: InChI=1S/C9H13NO2/c1-6(2)10-5-9(12)8(11)4-7(10)3/h4-6,12H,1-3H3
Standard InChI Key: FDHNNELWFDIXFV-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: 167.21 | Molecular Weight (Monoisotopic): 167.0946 | AlogP: 1.44 | #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: 12.03 | CX Basic pKa: | CX LogP: 1.39 | CX LogD: 1.39 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.69 | Np Likeness Score: -0.40 |
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):