| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5207153
Max Phase: Preclinical
Molecular Formula: C25H47NO
Molecular Weight: 377.66
Associated Items:
Representations
Canonical SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CC[C@H](C)CC1
Standard InChI: InChI=1S/C25H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-24-21-19-23(2)20-22-24/h10-11,23-24H,3-9,12-22H2,1-2H3,(H,26,27)/b11-10-/t23-,24-
Standard InChI Key: JXBVPYFJJGWAPY-RUGRTWLOSA-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: 377.66 | Molecular Weight (Monoisotopic): 377.3658 | AlogP: 7.72 | #Rotatable Bonds: 16 |
| 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: 8.29 | CX LogD: 8.29 |
| Aromatic Rings: 0 | Heavy Atoms: 27 | QED Weighted: 0.22 | Np Likeness Score: 0.06 |
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):