| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1170180
Max Phase: Preclinical
Molecular Formula: C10H16FN
Molecular Weight: 169.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC12CC3CC(C1)CC(F)(C3)C2
Standard InChI: InChI=1S/C10H16FN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2
Standard InChI Key: USUQQGKBGPIRRT-UHFFFAOYSA-N
Associated Targets(non-human)
Matrix protein 2 436 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 169.24 | Molecular Weight (Monoisotopic): 169.1267 | AlogP: 2.01 | #Rotatable Bonds: 0 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.63 | CX LogP: 0.97 | CX LogD: -1.85 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.59 | Np Likeness Score: 0.39 |
References
| 1. Eleftheratos S, Spearpoint P, Ortore G, Kolocouris A, Martinelli A, Martin S, Hay A.. (2010) Interaction of aminoadamantane derivatives with the influenza A virus M2 channel-docking using a pore blocking model., 20 (14): [PMID:20570509] [10.1016/j.bmcl.2010.05.049] |
Source
Source(1):