Compound Detail
CHEMBL195714
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C[C@@]12OC(=O)[C@]1([C@@H](O)[C@H]1CCC[C@H](Cl)[C@H]1O)NC(=O)[C@@H]2CCCl
Basic Information
| ChEMBL ID | CHEMBL195714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQHGLNAPMWOUKN-RWOBCWRPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.2
MW (Da)
0.54
ALogP
5
HBA
3
HBD
95.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of chymotrypsin-like (CT-L) activity of rabbit 20S proteasome | 15916417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15916417 | 10.1021/jm048995+ | Oryctolagus cuniculus | 3 |
| 15916417 | 10.1021/jm048995+ | RPMI-8226 | 1 |
| 15916417 | 10.1021/jm048995+ | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine