Compound Detail
CHEMBL408120
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CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)/C(C)=N/OCC(=O)NCCCNC(=O)c3ccc(F)c(N=[N+]=[N-])c3)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)/C(C(=O)O)=C(\C)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL408120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEOCEZSDAQGMHT-WMLLFQIWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1077.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit CHEMBL4438 | Ki | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | Ki | = | 3.4 | nM | 8.47 | Inhibition of PP1gamma by firefly bioluminescence assay | 18061458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18061458 | 10.1016/j.bmc.2007.11.034 | Serine/threonine-protein phosphatase PP1-gamma catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine