Compound Detail
CHEMBL2442200
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C[C@H]1O[C@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(CO)[C@H](O)C[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)O[C@H](C(=O)O)[C@H](O[C@H]3O[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL2442200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDPKDIVFHXKSCE-TZLGJNTASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1105.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ECV-304 CHEMBL614035 | IC50 | 4.89 | 4.565 | 13000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ECV-304 | IC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity against human ECV304 cells after 72 hrs by MTT assay | 24084294 |
| ECV-304 | IC50 | = | 58000.0 | nM | 4.24 | Membrane toxicity against human ECV304 cells after 2 hrs by LDH release assay | 24084294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24084294 | 10.1016/j.bmc.2013.09.008 | ECV-304 | 4 |
Data from ChEMBL 36 via Core Engine