Compound Detail
CHEMBL5218547
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Basic Information
| ChEMBL ID | CHEMBL5218547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMBDOIYQGZHKEU-YTLHQDLWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
154.2
MW (Da)
0.34
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.21 | 4.105 | 62200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 62200.0 | nM | 4.21 | Inhibition of PP1 (unknown origin) | 33454654 |
| Unchecked | IC50 | = | 99900.0 | nM | 4.0 | Inhibition of bovine brain PP2A assessed as dephosphorylation of substrate using... | 33454654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33454654 | 10.1016/j.bmc.2021.116012 | Unchecked | 2 |
| 33454654 | 10.1016/j.bmc.2021.116012 | HepG2 | 1 |
| 33454654 | 10.1016/j.bmc.2021.116012 | HL-60 | 1 |
| 33454654 | 10.1016/j.bmc.2021.116012 | KB 3-1 | 1 |
Data from ChEMBL 36 via Core Engine