| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4580238
Max Phase: Preclinical
Molecular Formula: C11H15NO3
Molecular Weight: 209.24
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=c1cc(CN2CCCCC2)occ1O
Standard InChI: InChI=1S/C11H15NO3/c13-10-6-9(15-8-11(10)14)7-12-4-2-1-3-5-12/h6,8,14H,1-5,7H2
Standard InChI Key: YXENHQISOGPMNY-UHFFFAOYSA-N
Associated Targets(non-human)
Polymerase acidic protein 806 Activities
Molecule Features
| Natural Product: Yes | 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: 209.24 | Molecular Weight (Monoisotopic): 209.1052 | AlogP: 1.33 | #Rotatable Bonds: 2 |
| Polar Surface Area: 53.68 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.79 | CX Basic pKa: 7.33 | CX LogP: 1.06 | CX LogD: 0.79 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.80 | 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):