Compound Detail
CHEMBL384726
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C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)N[C@H](CCC)C(=O)N(C)[C@@H](CO)C(=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](C)C(=O)N[C@@H](C)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 | CHEMBL384726 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UVAZRAAUMKLNAN-INJCWPFZSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1246.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-2 CHEMBL2466 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase A CHEMBL1949 | IC50 | 7.32 | 7.175 | 48.0 | 2 |
| Mus musculus CHEMBL375 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-2 | IC50 | = | 26.0 | nM | 7.58 | The compound was evaluated in vitro for the immunosuppressive activity in interl... | 7650689 |
| Peptidyl-prolyl cis-trans isomerase A | IC50 | = | 48.0 | nM | 7.32 | In vitro binding affinity against cyclophilin A by rotamase assay | 7650689 |
| Mus musculus | IC50 | = | 56.0 | nM | 7.25 | The compound was evaluated in vitro for the immunosuppressive activity in mouse ... | 7650689 |
| Peptidyl-prolyl cis-trans isomerase A | IC50 | = | 93.0 | nM | 7.03 | In vitro binding affinity against cyclophilin A by ELISA | 7650689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650689 | 10.1021/jm00017a020 | Unchecked | 4 |
| 7650689 | 10.1021/jm00017a020 | Peptidyl-prolyl cis-trans isomerase A | 2 |
| 7650689 | 10.1021/jm00017a020 | Mus musculus | 1 |
| 7650689 | 10.1021/jm00017a020 | Interleukin-2 | 1 |
Data from ChEMBL 36 via Core Engine