Compound Detail
CHEMBL310910
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CCOc1cc2c(cc1OC(C)=O)C(=O)CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL310910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POGDKUSBXXONQZ-BKVMDGFCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.83
ALogP
6
HBA
0
HBD
78.9
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 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2111464 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of polymerization of purified bovine tubulin | 10882369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10882369 | 10.1021/jm0001119 | Cell line | 1 |
| 10882369 | 10.1021/jm0001119 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine