Compound Detail
CHEMBL377754
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CC(C)(CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL377754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZYGGFKOMZFMNF-CNTYEJSOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
598.8
MW (Da)
7.46
ALogP
5
HBA
2
HBD
118.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 870.0 | nM | 6.06 | Inhibition of chymotrypsin-like activity of human 20S proteasome | 18562200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942019 | 10.1021/jm0601912 | MT4 | 1 |
| 16942019 | 10.1021/jm0601912 | H9 | 1 |
| 18562200 | 10.1016/j.bmc.2008.05.078 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine