Compound Detail
CHEMBL172123
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CO[C@@H]1[C@H](OC(C)=O)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
Basic Information
| ChEMBL ID | CHEMBL172123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJWIELMYRJKFLK-WJQMWINMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.63
ALogP
5
HBA
0
HBD
60.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.52
IC50 1 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methionine aminopeptidase 2 CHEMBL3922 | IC50 | 9.29 | 9.29 | 0.5 | 1 |
| HUVEC CHEMBL613979 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methionine aminopeptidase 2 | IC50 | = | 0.51 | nM | 9.29 | Inhibitory activity against Methionine aminopeptidase 2 | 14684305 |
| HUVEC | EC50 | = | 3.0 | nM | 8.52 | Tested for inhibition of the human umbilical vein endothelial cell (HUVEC) proli... | 14684305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684305 | 10.1016/j.bmcl.2003.10.008 | Methionine aminopeptidase 2 | 1 |
| 14684305 | 10.1016/j.bmcl.2003.10.008 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine