Compound Detail
CHEMBL5270968
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Basic Information
| ChEMBL ID | CHEMBL5270968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUQMLSGOTNKJKI-SAAXCQNUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
-0.36
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform CHEMBL4703 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | Inhibition of PP1 (unknown origin) | 34156850 |
| Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human PP2AC using [3H]-phosphohistone as substrate | 34156850 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Unchecked | 1 |
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine