Compound Detail
CHEMBL488905
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CCOC(=O)/C(=C/c1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL488905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJFABJLNZWRWRK-UZMOGPCDSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
1.65
ALogP
7
HBA
5
HBD
154.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.74 | 6.69 | 183.0 | 2 |
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 | = | 183.0 | nM | 6.74 | Inhibition of trypsin like 20S proteasome activity in lymphoblastoid cells | 17996987 |
| Unchecked | IC50 | = | 231.0 | nM | 6.64 | In vivo inhibition of trypsin like 20S proteasome | 17996987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17996987 | 10.1016/j.ejmech.2007.10.002 | Unchecked | 6 |
| 17996987 | 10.1016/j.ejmech.2007.10.002 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine