Compound Detail
CHEMBL40942
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Basic Information
| ChEMBL ID | CHEMBL40942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZMRQQZJAWAUOQ-GBIKHYSHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
-0.29
ALogP
8
HBA
2
HBD
119.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.48 | 5.4 | 3300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphory... | 12699764 |
| Unchecked | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of protein phosphatase 1 (PP1) was determined by standard phosphoryla... | 12699764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699764 | 10.1016/s0960-894x(03)00106-9 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine