Compound Detail
CHEMBL1760876
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C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CC5(CC(=O)O)CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1760876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYGZCEFVPFHDPD-RAMXYVRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.8
MW (Da)
7.48
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of chymotrypsin-like activity of 20S proteasome | 21388808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21388808 | 10.1016/j.bmcl.2011.02.041 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine