| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5284005
Max Phase: Preclinical
Molecular Formula: C10H19N3
Molecular Weight: 181.28
Associated Items:
Representations
Canonical SMILES: CC12CN3CN(C1)CC(C)(C3)C2N
Standard InChI: InChI=1S/C10H19N3/c1-9-3-12-5-10(2,8(9)11)6-13(4-9)7-12/h8H,3-7,11H2,1-2H3
Standard InChI Key: BUCSFUAMLHKDLP-UHFFFAOYSA-N
Associated Targets(non-human)
MDCK 10148 Activities
Influenza A virus 11224 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 181.28 | Molecular Weight (Monoisotopic): 181.1579 | AlogP: -0.07 | #Rotatable Bonds: 0 |
| Polar Surface Area: 32.50 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.22 | CX LogP: -0.05 | CX LogD: -1.85 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.57 | Np Likeness Score: 0.50 |
References
| 1. Suslov E, Zarubaev VV, Slita AV, Ponomarev K, Korchagina D, Ayine-Tora DM, Reynisson J, Volcho K, Salakhutdinov N.. (2017) Anti-influenza activity of diazaadamantanes combined with monoterpene moieties., 27 (19): [PMID:28886889] [10.1016/j.bmcl.2017.08.062] |
Source
Source(1):