| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1172240
Max Phase: Preclinical
Molecular Formula: C13H19NO
Molecular Weight: 205.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CCC2(N1)C1CC3CC(C1)CC2C3
Standard InChI: InChI=1S/C13H19NO/c15-12-1-2-13(14-12)10-4-8-3-9(6-10)7-11(13)5-8/h8-11H,1-7H2,(H,14,15)
Standard InChI Key: CGXGSOKIYGVUOZ-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: 205.30 | Molecular Weight (Monoisotopic): 205.1467 | AlogP: 2.09 | #Rotatable Bonds: 0 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.52 | CX LogD: 1.52 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.64 | Np Likeness Score: 0.68 |
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):