| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5290857
Max Phase: Preclinical
Molecular Formula: C20H35N3
Molecular Weight: 317.52
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C\CNC1C2(C)CN3CN(C2)CC1(C)C3
Standard InChI: InChI=1S/C20H35N3/c1-16(2)7-6-8-17(3)9-10-21-18-19(4)11-22-13-20(18,5)14-23(12-19)15-22/h7,9,18,21H,6,8,10-15H2,1-5H3/b17-9-
Standard InChI Key: RMSSNRHYTVGJCR-MFOYZWKCSA-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 |
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Molecule Features
| Natural Product: No | 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: 317.52 | Molecular Weight (Monoisotopic): 317.2831 | AlogP: 3.25 | #Rotatable Bonds: 6 |
| Polar Surface Area: 18.51 | Molecular Species: BASE | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.42 | CX LogP: 3.40 | CX LogD: 1.40 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.76 | Np Likeness Score: 1.19 |
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):