Compound Detail
CHEMBL1760882
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COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCCCCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1760882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWZRWMIMJZOXKD-RAMXYVRUSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.8
MW (Da)
7.18
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.11 | 5.0467 | 7800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 7800.0 | nM | 5.11 | Activation of chymotrypsin-like activity of human 20S proteasome using suc-LLVY-... | 23330053 |
| Unchecked | EC50 | = | 8600.0 | nM | 5.07 | Activation of trypsin-like activity of human 20S proteasome using Bz-VGR-AMC as ... | 23330053 |
| Unchecked | EC50 | = | 11000.0 | nM | 4.96 | Activation of caspase-like activity of human 20S proteasome using (Z)-LLE-bNA as... | 23330053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23330053 | 10.1021/ml3001962 | Unchecked | 8 |
| 21388808 | 10.1016/j.bmcl.2011.02.041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine