Compound Detail
CHEMBL505832
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CO[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@]5(C)[C@]6(O)CC[C@]5(O)[C@H](C)O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL505832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDIFPSKNROPADH-VRQPUNOPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1429.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.A1 CHEMBL614040 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.A1 | IC50 | = | 880.0 | nM | 6.06 | Antiproliferative activity against mouse J774.A1 cells after 3 days by MTT conve... | 16643040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16643040 | 10.1021/np050493r | J774.A1 | 1 |
| 16643040 | 10.1021/np050493r | HEK293 | 1 |
| 16643040 | 10.1021/np050493r | WEHI-164 | 1 |
Data from ChEMBL 36 via Core Engine