Compound Detail
CHEMBL2114122
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COC(=O)CCCCCCCC(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)C(=O)NC(C=O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL2114122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZXJGVCQHAWMAW-ACEFPKFPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
722.0
MW (Da)
4.21
ALogP
9
HBA
4
HBD
195.3
PSA (Ų)
0.05
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 20.0 | nM | 7.7 | Compound was evaluated for inhibitory activity against 20S proteasome from human... | 7608891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7608891 | 10.1021/jm00013a002 | 20S proteasome | 1 |
Data from ChEMBL 36 via Core Engine