| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4544398
Max Phase: Preclinical
Molecular Formula: C17H30N2
Molecular Weight: 262.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/CCN1CCCCC1)C2
Standard InChI: InChI=1S/C17H30N2/c1-16(2)14-7-8-17(16,3)15(13-14)18-9-12-19-10-5-4-6-11-19/h14H,4-13H2,1-3H3/b18-15+/t14-,17+/m1/s1
Standard InChI Key: ICAZGHBRTZVUKB-UMTFQYRWSA-N
Associated Targets(non-human)
Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (103 Activities)
MDCK (10148 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: Unknown | 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: 262.44 | Molecular Weight (Monoisotopic): 262.2409 | AlogP: 3.76 | #Rotatable Bonds: 3 |
| Polar Surface Area: 15.60 | Molecular Species: BASE | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.54 | CX LogP: 3.66 | CX LogD: 2.47 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.76 | Np Likeness Score: 0.22 |
References
| 1. Yarovaya OI, Sokolova AS, Mainagashev IY, Volobueva AS, Lantseva K, Borisevich SS, Shtro AA, Zarubaev VV, Salakhutdinov NF.. (2019) Synthesis and structure-activity relationships of novel camphecene analogues as anti-influenza agents., 29 (23): [PMID:31668423] [10.1016/j.bmcl.2019.126745] |
Source
Source(1):