Compound Detail
CHEMBL174207
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COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)C2CCC(=O)[C@@]2(C)C[C@H]1C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL174207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZECFBQSMEPCVGW-SCVGUQNHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
2.39
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 20.0 | nM | 7.7 | Inhibition of DNA dependent protein kinase activity without hsp90 alpha protein | 11294389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11294389 | 10.1016/s0960-894x(01)00099-3 | Unchecked | 1 |
| 11294389 | 10.1016/s0960-894x(01)00099-3 | DNA-dependent protein kinase catalytic subunit | 1 |
| 11294389 | 10.1016/s0960-894x(01)00099-3 | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine