Compound Detail
CHEMBL2370707
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C/C=C/CC(C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL2370707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGQGFRQOSWVMPG-GYKXRLDESA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1294.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1B CHEMBL2430 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP1B | Ki | = | 6.0 | nM | 8.22 | The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase). | 7473543 |
| Jurkat | IC50 | = | 21.0 | nM | 7.68 | The compound was tested in vitro for inhibition of IL-2 release stimulated with ... | 7473543 |
| Mus musculus | IC50 | = | 105.0 | nM | 6.98 | The compound was tested in vitro for inhibition of proliferation in BDF1 mouse s... | 7473543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473543 | 10.1021/jm00021a005 | Peptidyl-prolyl cis-trans isomerase FKBP1B | 1 |
| 7473543 | 10.1021/jm00021a005 | Mus musculus | 1 |
| 7473543 | 10.1021/jm00021a005 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine