| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4519490
Max Phase: Preclinical
Molecular Formula: C18H33N3
Molecular Weight: 291.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCN1CCN(CC/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)CC1
Standard InChI: InChI=1S/C18H33N3/c1-5-20-10-12-21(13-11-20)9-8-19-16-14-15-6-7-18(16,4)17(15,2)3/h15H,5-14H2,1-4H3/b19-16+/t15-,18+/m1/s1
Standard InChI Key: KCEYSIJMGPFGRW-CIICKYDJSA-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: 291.48 | Molecular Weight (Monoisotopic): 291.2674 | AlogP: 2.91 | #Rotatable Bonds: 4 |
| Polar Surface Area: 18.84 | 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: 8.09 | CX LogP: 3.01 | CX LogD: 2.07 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.79 | Np Likeness Score: -0.01 |
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):