Compound Detail
CHEMBL394542
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CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL394542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMQOJKBZSZVJGW-XDMQIOAUSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
-0.20
ALogP
8
HBA
6
HBD
197.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 56.0 | nM | 7.25 | Inhibition of trypsin-like activity of 20S proteasome in lymphoblastoid cells af... | 17291631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17291631 | 10.1016/j.ejmech.2006.12.008 | Unchecked | 3 |
| 17291631 | 10.1016/j.ejmech.2006.12.008 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine