Compound Detail
CHEMBL509059
CALYCULIN Enter ChEMBL ID:
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COC[C@@H]([C@H](O)[C@H](O)C(=O)N[C@H](C)C[C@H](C)c1nc(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C
Basic Information
| ChEMBL ID | CHEMBL509059 |
| Name | CALYCULIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDHVPFKPZGGNLB-KWKPKXEISA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1023.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| Serine-threonine protein phosphatase 2A regulatory subunit CHEMBL2669 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.9 | nM | 9.05 | Inhibition of protein phosphatase 2A | 1812209 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 1.49 | nM | 8.83 | Observed inhibition activity of the compounds against protein phosphatases 1 (PP... | 9379439 |
| Serine-threonine protein phosphatase 2A regulatory subunit | IC50 | = | 9.71 | nM | 8.01 | Observed inhibition activity of the compounds against protein phosphatases 2A (P... | 9379439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379439 | 10.1021/jm960873x | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
| 9379439 | 10.1021/jm960873x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 1812209 | 10.1021/np50078a001 | Unchecked | 1 |
| 25442302 | 10.1016/j.bmcl.2014.10.002 | P388 | 1 |
Data from ChEMBL 36 via Core Engine