Compound Detail
CHEMBL1240771
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CC(C)C[C@@H](/C=C/C(=O)n1cccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCCCCCCNC(=O)OCc1ccccc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1240771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJJXZFZNGLVJJW-FDKRZRRWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
667.9
MW (Da)
4.10
ALogP
8
HBA
5
HBD
167.9
PSA (Ų)
0.10
QED
1
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.44 | 7.34 | 36.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 36.0 | nM | 7.44 | Inhibition of PGPH catalytic activity of 20S proteasome beta2 in human LCL cells... | 20687609 |
| Unchecked | IC50 | = | 58.0 | nM | 7.24 | Inhibition of PGPH catalytic activity of 20S proteasome beta2 in human LCL cells... | 20687609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20687609 | 10.1021/jm100122e | Unchecked | 6 |
| 20687609 | 10.1021/jm100122e | No relevant target | 1 |
| 20687609 | 10.1021/jm100122e | ADMET | 1 |
| 20687609 | 10.1021/jm100122e | JIYOYE | 1 |
Data from ChEMBL 36 via Core Engine