Compound Detail
CHEMBL3237869
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CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)NC(=O)c1ccccc1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1
Basic Information
| ChEMBL ID | CHEMBL3237869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMNWBKJOXQEROK-GAKADHCDSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
765.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome CHEMBL2364701 | IC50 | 8.11 | 6.8567 | 7.8 | 3 |
| HCT-116 CHEMBL394 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome | IC50 | = | 7.8 | nM | 8.11 | Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-LLVY-... | 24524217 |
| HCT-116 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of human HCT116 cell growth | 24524217 |
| 26S proteasome | IC50 | = | 130.0 | nM | 6.89 | Inhibition of caspase-like activity of human 20S proteasome using Ac-nLPnLD-AMC ... | 24524217 |
| 26S proteasome | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of trypsin-like activity of human 20S proteasome using Ac-RLR-AMC as ... | 24524217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24524217 | 10.1021/jm500045x | 26S proteasome | 3 |
| 24524217 | 10.1021/jm500045x | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine