Compound Detail
CHEMBL5394365
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C[C@H](NC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC1)B1OC2C3OC(CC3C(=O)O)C2(C)O1
Basic Information
| ChEMBL ID | CHEMBL5394365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBCUMYIQEMRPIH-WSQAYMCYSA-N |
2
Targets
2
Activities
1
Assay Types
17
PK Parameters
3
Publications
0
Known Names
Molecular Properties
620.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 323.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 126.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 20.8 | mL.min-1.g-1 | Homo sapiens |
| CL | 37.8 | mL.min-1.g-1 | Mus musculus |
| CL | 55.6 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 16.4 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 35.6 | mL.min-1.g-1 | Macaca mulatta |
| Cmax | 74.96 | nM | Rattus norvegicus |
| F | 9.8 | % | Rattus norvegicus |
| T1/2 | 1.11 | hr | Homo sapiens |
| T1/2 | 0.6117 | hr | Mus musculus |
| T1/2 | 0.415 | hr | Rattus norvegicus |
| T1/2 | 1.408 | hr | Canis lupus familiaris |
| T1/2 | 0.6483 | hr | Macaca mulatta |
| T1/2 | 24.14 | hr | Rattus norvegicus |
| T1/2 | 11.96 | hr | Rattus norvegicus |
| Tmax | 0.17 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 2.7 | nM | 8.57 | Inhibition of human 20S proteasome chymotrypsin-like activity using Suc-Leu-Leu-... | 36806958 |
| RPMI-8226 | IC50 | = | 2.9 | nM | 8.54 | Cytotoxicity against human RPMI-8226 cells assessed as inhibition of cell prolif... | 36806958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36806958 | 10.1016/j.ejmech.2023.115187 | ADMET | 27 |
| 36806958 | 10.1016/j.ejmech.2023.115187 | 20S proteasome | 1 |
| 36806958 | 10.1016/j.ejmech.2023.115187 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine