Compound Detail
CHEMBL4633052
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C/C(=C\C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)NC1=O)CCOC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[N+](C)(C)[O-]
Basic Information
| ChEMBL ID | CHEMBL4633052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVXOUISIUFHSDS-VPWXGSKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1095.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.8 | 4.8 | 15700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 15700.0 | nM | 4.8 | Binding affinity to Fe3+ assessed as formation of Fe3+-compound complex incubate... | 32058711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32058711 | 10.1021/acs.jnatprod.9b00698 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine