Compound Detail
CHEMBL2024289
SYMPLOCIN A Enter ChEMBL ID:
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CC[C@@H](C)[C@H](C(=O)O[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@H](C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)C)N(C)C
Basic Information
| ChEMBL ID | CHEMBL2024289 |
| Name | SYMPLOCIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDLHEZRABDBDPY-YQLRASQXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1095.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin E CHEMBL3092 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin E | IC50 | = | 0.3 | nM | 9.52 | Inhibition of cathepsin E | 22360587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22360587 | 10.1021/np200861n | Cathepsin E | 1 |
| 22360587 | 10.1021/np200861n | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine