Compound Detail
CHEMBL5173758
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C[C@@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)N1CCC(C(=O)Nc2cccnc2)CC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5173758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLKMLTBSIMGYTI-LGBXHZPNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
697.9
MW (Da)
4.36
ALogP
6
HBA
5
HBD
161.6
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 7.69 | 7.69 | 20.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 20.32 | nM | 7.69 | 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