Compound Detail
CHEMBL48010
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Basic Information
| ChEMBL ID | CHEMBL48010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTZUGGMOGMTBFK-MZUZGICHSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
0.82
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-threonine protein phosphatase 2A regulatory subunit CHEMBL2669 | IC50 | 6.33 | 6.33 | 470.0 | 2 |
| Protein phosphatase 1B CHEMBL2845 | IC50 | 5.32 | 5.32 | 4820.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.32 | 5.32 | 4820.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.12 | 4.12 | 75000.0 | 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 | = | 470.0 | nM | 6.33 | Inhibitory concentration against protein phosphatase 2A was determined | 11677131 |
| Serine-threonine protein phosphatase 2A regulatory subunit | IC50 | = | 470.0 | nM | 6.33 | Inhibitory activity against partially purified (chicken skeletal muscle) Protein... | 10937725 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 4820.0 | nM | 5.32 | Inhibitory concentration against protein phosphatase 1 was determined | 11677131 |
| Protein phosphatase 1B | IC50 | = | 4820.0 | nM | 5.32 | Inhibitory activity against recombinant Protein phosphatase 1 | 10937725 |
| HT-29 | IC50 | = | 15000.0 | nM | 4.82 | Inhibitory activity against colon tumor cell line HT-29 after 72 hr continuous e... | 10937725 |
| HCT-116 | IC50 | = | 75000.0 | nM | 4.12 | Inhibitory activity against colon tumor cell line HCT116 after 72 hr continuous ... | 10937725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11677131 | 10.1016/s0960-894x(01)00594-7 | Serine-threonine protein phosphatase 2A regulatory subunit | 2 |
| 11677131 | 10.1016/s0960-894x(01)00594-7 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | Protein phosphatase 1B | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | A2780 | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | ADDP cell line | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | 143B | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | HCT-116 | 1 |
| 10937725 | 10.1016/s0960-894x(00)00323-1 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine