| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280956
Max Phase: Preclinical
Molecular Formula: C19H30N2O
Molecular Weight: 302.46
Associated Items:
Representations
Canonical SMILES: CC1=CC[C@@H](CC2N3CC4(C)CN2CC(C)(C3)C4=O)C1(C)C
Standard InChI: InChI=1S/C19H30N2O/c1-13-6-7-14(17(13,2)3)8-15-20-9-18(4)10-21(15)12-19(5,11-20)16(18)22/h6,14-15H,7-12H2,1-5H3/t14-,15?,18?,19?/m0/s1
Standard InChI Key: ZBZVJBFCHJKAFZ-PLDSJADBSA-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: 302.46 | Molecular Weight (Monoisotopic): 302.2358 | AlogP: 2.92 | #Rotatable Bonds: 2 |
| Polar Surface Area: 23.55 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.14 | CX LogP: 3.47 | CX LogD: 3.28 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.73 | Np Likeness Score: 0.94 |
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):