Compound Detail
CHEMBL7026
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O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1O[C@H]2C[C@@H]1COC(=O)[C@@H]1C[C@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL7026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFHGSESHXNRPRM-NMCQGECBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.44
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.3 | 5.85 | 500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 500.0 | nM | 6.3 | Inhibition of Protein phosphatase 2B | - |
| Unchecked | Ki | = | 4000.0 | nM | 5.4 | The compound was tested for the inhibition of Protein phosphatase-1 (PP1) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00141-8 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine