Compound Detail
CHEMBL4784015
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COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL4784015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGBHPVNERAEAAG-NSOVKSMOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
3.40
ALogP
5
HBA
4
HBD
125.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome subunit beta type-8 CHEMBL5620 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome subunit beta type-8 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of human 20S immunoproteasome beta 5 chymotrypsin-like activity | 33095579 |
| Proteasome Macropain subunit MB1 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of human constitutive 20S proteasome beta 5 chymotrypsin-like activit... | 33095579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Proteasome subunit beta type-8 | 1 |
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Proteasome Macropain subunit MB1 | 1 |
| 33095579 | 10.1021/acs.jmedchem.0c01520 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine