Compound Detail
CHEMBL68747
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COc1ccc2c(c1)C(CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(OCc3ccccc3)cc1)CC2=O
Basic Information
| ChEMBL ID | CHEMBL68747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJHXQYXGJLMVGQ-JOAFRBSCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
641.8
MW (Da)
5.71
ALogP
6
HBA
3
HBD
122.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome CHEMBL612443 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of chymotrypsin-like activity of 20S proteasome | 9871656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871656 | 10.1016/s0960-894x(98)00015-8 | Proteasome | 1 |
| 9871656 | 10.1016/s0960-894x(98)00015-8 | Calpain 1 | 1 |
Data from ChEMBL 36 via Core Engine