Compound Detail
CHEMBL461005
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CCOC(=O)/C=C/[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(O)c1C
Basic Information
| ChEMBL ID | CHEMBL461005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAOAGARIVZSPLZ-DRWUBOAHSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.8
MW (Da)
4.45
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.68 | 5.5267 | 2065.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2065.0 | nM | 5.68 | Inhibition of chymotrypsin like 20S proteasome activity in lymphoblastoid cells | 17996987 |
| Unchecked | IC50 | = | 2142.0 | nM | 5.67 | Inhibition of caspase like 20S proteasome activity in lymphoblastoid cells | 17996987 |
| Unchecked | IC50 | = | 5839.0 | nM | 5.23 | Inhibition of trypsin like 20S proteasome activity in lymphoblastoid cells | 17996987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17996987 | 10.1016/j.ejmech.2007.10.002 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine