Compound Detail
CHEMBL448000
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CC(C)CC(NC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL448000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUHGGGIDYXHMLH-CDFKYXDCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
712.0
MW (Da)
8.00
ALogP
6
HBA
3
HBD
147.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3090.0 | nM | 5.51 | Inhibition of chymotrypsin-like activity of human 20S proteasome | 18562200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18562200 | 10.1016/j.bmc.2008.05.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine