Compound Detail
CHEMBL16701
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Basic Information
| ChEMBL ID | CHEMBL16701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVRCGKQYGUKJKS-QQJWGCFSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
0.43
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-threonine protein phosphatase 2A regulatory subunit CHEMBL2669 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit CHEMBL4438 | IC50 | 5.53 | 5.53 | 2960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-threonine protein phosphatase 2A regulatory subunit | IC50 | = | 450.0 | nM | 6.35 | Inhibition of Serine/threonine protein phosphatase 2A by anhydride modified Cant... | 11881984 |
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | IC50 | = | 2960.0 | nM | 5.53 | Inhibition of Serine/threonine protein phosphatase 1 by anhydride modified Canth... | 11881984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881984 | 10.1021/jm010066k | Unchecked | 5 |
| 11881984 | 10.1021/jm010066k | Serine-threonine protein phosphatase 2A regulatory subunit | 2 |
| 11881984 | 10.1021/jm010066k | Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine