| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1171000
Max Phase: Preclinical
Molecular Formula: C15H25N
Molecular Weight: 219.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC1CCC2(N1)C1CC3CC(C1)CC2C3
Standard InChI: InChI=1S/C15H25N/c1-2-14-3-4-15(16-14)12-6-10-5-11(8-12)9-13(15)7-10/h10-14,16H,2-9H2,1H3
Standard InChI Key: JJOUOPDSZFMWGO-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: 219.37 | Molecular Weight (Monoisotopic): 219.1987 | AlogP: 3.34 | #Rotatable Bonds: 1 |
| Polar Surface Area: 12.03 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 12.19 | CX LogP: 3.25 | CX LogD: 0.02 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.71 | Np Likeness Score: 1.09 |
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):