Compound Detail
CHEMBL4517600
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CC(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
Basic Information
| ChEMBL ID | CHEMBL4517600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMSMDSIMLBJCLS-PVDXDXSXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
766.0
MW (Da)
5.31
ALogP
7
HBA
4
HBD
166.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 2.4 | nM | 8.62 | Inhibition of human 20S proteasome preincubated for 15 mins followed by substrat... | 30639896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30639896 | 10.1016/j.ejmech.2018.12.064 | 20S proteasome | 1 |
Data from ChEMBL 36 via Core Engine