| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5207458
Max Phase: Preclinical
Molecular Formula: C26H40F3NO
Molecular Weight: 439.61
Associated Items:
Representations
Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(C(F)(F)F)cc1
Standard InChI: InChI=1S/C26H40F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(31)30-22-23-18-20-24(21-19-23)26(27,28)29/h9-10,18-21H,2-8,11-17,22H2,1H3,(H,30,31)/b10-9-
Standard InChI Key: ADFSPTLJWWRWNT-KTKRTIGZSA-N
Associated Targets(Human)
20S proteasome 530 Activities
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: 439.61 | Molecular Weight (Monoisotopic): 439.3062 | AlogP: 8.36 | #Rotatable Bonds: 17 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 8.80 | CX LogD: 8.80 |
| Aromatic Rings: 1 | Heavy Atoms: 31 | QED Weighted: 0.19 | Np Likeness Score: -0.30 |
References
| 1. Halder S, Macatangay NJ, Zerfas BL, Salazar-Chaparro AF, Trader DJ.. (2022) Oleic amide derivatives as small molecule stimulators of the human proteasome's core particle., 13 (9.0): [PMID:36324496] [10.1039/d2md00133k] |
Source
Source(1):