Compound Detail
CHEMBL5195393
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COc1ccc(N(C)C(=O)C2CCN(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc3ccccc3)C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5195393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVBOKFHQXPYEAC-XWTVRQILSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
767.0
MW (Da)
5.31
ALogP
6
HBA
4
HBD
149.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 24.97 | nM | 7.6 | Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu L... | 35218994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35218994 | 10.1016/j.ejmech.2022.114211 | 20S proteasome | 1 |
Data from ChEMBL 36 via Core Engine