Compound Detail
CHEMBL396037
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CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1C
Basic Information
| ChEMBL ID | CHEMBL396037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLRUJASUUSHZAZ-DRWUBOAHSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
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 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.8 | 5.98 | 157.0 | 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 | = | 157.0 | nM | 6.8 | Inhibition of trypsin-like activity of 20S proteasome in lymphoblastoid cells af... | 17291631 |
| Unchecked | IC50 | = | 6890.0 | nM | 5.16 | Inhibition of chymotrypsin-like activity of 20S proteasome in lymphoblastoid cel... | 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