Compound Detail
CHEMBL188385
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CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C1=CCCN(C(=O)OC(C)(C)C)C1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL188385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFIXLBSPQNOOOX-CBKNEQETSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
580.7
MW (Da)
1.82
ALogP
8
HBA
4
HBD
163.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome CHEMBL612443 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.567 | hr | Homo sapiens |
| T1/2 | 6.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome | IC50 | = | 110.0 | nM | 6.96 | Inhibition of trypsin like activity of the proteasome purified from lymphoblasto... | 16033282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033282 | 10.1021/jm040905d | Proteasome | 3 |
| 16033282 | 10.1021/jm040905d | ADMET | 2 |
Data from ChEMBL 36 via Core Engine