Compound Detail
CHEMBL430266
CALYCULIN A Enter ChEMBL ID:
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COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[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 | CHEMBL430266 |
| Name | CALYCULIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKAWLXNLHHIHLA-YCBIHMBMSA-N |
8
Targets
20
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
1009.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 20 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform CHEMBL4763 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit CHEMBL4438 | IC50 | 9.85 | 8.6367 | 0.1 | 6 |
| Serine-threonine protein phosphatase 2A regulatory subunit CHEMBL2669 | IC50 | 9.7 | 8.8467 | 0.2 | 3 |
| Unchecked CHEMBL612545 | IC50 | 9.7 | 9.2725 | 0.2 | 4 |
| Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform CHEMBL4703 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 9.52 | 9.2467 | 0.3 | 3 |
| Serine/threonine-protein phosphatase 5 CHEMBL3425389 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Serine/threonine-protein phosphatase 6 catalytic subunit CHEMBL4105731 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11881984 | 10.1021/jm010066k | Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | 10 |
| 11881984 | 10.1021/jm010066k | Unchecked | 4 |
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Unchecked | 3 |
| 18622389 | 10.1038/nchembio.100 | Saccharomyces cerevisiae | 2 |
| - | 10.1016/S0960-894X(00)80281-4 | Mus musculus | 1 |
| 27784673 | 10.1182/blood-2016-08-731240 | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | 1 |
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Serine/threonine-protein phosphatase 6 catalytic subunit | 1 |
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Serine/threonine-protein phosphatase 5 | 1 |
| 34156850 | 10.1021/acs.jmedchem.1c00631 | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform | 1 |
| 12193024 | 10.1021/np020049d | Spodoptera littoralis | 1 |
| 1812209 | 10.1021/np50078a001 | Unchecked | 1 |
| 9379439 | 10.1021/jm960873x | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
| - | 10.1016/S0960-894X(00)80281-4 | Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit alpha isoform | 1 |
| - | 10.1016/S0960-894X(00)80281-4 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 11881984 | 10.1021/jm010066k | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
| 11814804 | 10.1016/s0960-894x(01)00777-6 | Serine-threonine protein phosphatase 2A regulatory subunit | 1 |
| 11814804 | 10.1016/s0960-894x(01)00777-6 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 9379439 | 10.1021/jm960873x | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine