Compound Detail
CHEMBL5563947
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Basic Information
| ChEMBL ID | CHEMBL5563947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKYUHUBEBDZJIA-UHFFFAOYSA-M |
| Parent Compound | CHEMBL6069607 |
| Active Moiety | CHEMBL6069607 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.29
ALogP
3
HBA
1
HBD
42.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein phosphatase 1A CHEMBL2437 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein phosphatase 1A | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of recombinant human PPM1A using pNPP as substrate preincubated for 1... | 38958057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38958057 | 10.1021/acs.jmedchem.4c00513 | Protein phosphatase 1A | 1 |
| 38958057 | 10.1021/acs.jmedchem.4c00513 | THP-1 | 1 |
| 38958057 | 10.1021/acs.jmedchem.4c00513 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine