Compound Detail
CHEMBL578518
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CC1=CC(C)=[N+]2C1=C(CCCCc1cn([C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3c(F)c(F)c(F)c(F)c3F)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]3(C)CO3)nn1)c1c(C)cc(C)n1[B-]2(F)F
Basic Information
| ChEMBL ID | CHEMBL578518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FERPMTXJZUHNMW-ZYMNMGAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1056.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome Macropain subunit MB1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of 26S proteasome beta 5 using LLVY as substrate | 20131905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20131905 | 10.1021/jm9015685 | Proteasome component C5 | 7 |
| 20131905 | 10.1021/jm9015685 | Proteasome Macropain subunit | 7 |
| 20131905 | 10.1021/jm9015685 | Proteasome subunit beta type-3 | 6 |
| 20131905 | 10.1021/jm9015685 | Proteasome Macropain subunit MB1 | 1 |
Data from ChEMBL 36 via Core Engine