| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5281236
Max Phase: Preclinical
Molecular Formula: C14H27N
Molecular Weight: 209.38
Associated Items:
Representations
Canonical SMILES: CCCCCCCC/C=C/C=C/[C@@H](C)N
Standard InChI: InChI=1S/C14H27N/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h10-14H,3-9,15H2,1-2H3/b11-10+,13-12+/t14-/m1/s1
Standard InChI Key: WCUPLXASCCDKJN-PBKZMAJUSA-N
Associated Targets(Human)
SNB-19 46794 Activities
A549 127892 Activities
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LOX IMVI 44321 Activities
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OVCAR-3 48710 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 209.38 | Molecular Weight (Monoisotopic): 209.2143 | AlogP: 4.20 | #Rotatable Bonds: 9 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.86 | CX LogP: 4.55 | CX LogD: 2.19 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.45 | Np Likeness Score: 1.49 |
References
| 1. Davies-Coleman MT, McPhail KL, Parker-Nance S.. (2023) A Quarter Century of Marine Biodiscovery in Algoa Bay, South Africa., 86 (3): [PMID:36853972] [10.1021/acs.jnatprod.2c00987] |
Source
Source(1):