Compound Detail
CHEMBL449916
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@H]8OC[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL449916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIQABFLRIOOAGP-MQHLRMBESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1383.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.A1 CHEMBL614040 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.A1 | IC50 | = | 3000.0 | nM | 5.52 | Antiproliferative activity against mouse J774.A1 cells after 72 hrs by MTT conve... | 18442289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18442289 | 10.1021/np8000464 | HEK293 | 1 |
| 18442289 | 10.1021/np8000464 | WEHI-164 | 1 |
| 18442289 | 10.1021/np8000464 | J774.A1 | 1 |
Data from ChEMBL 36 via Core Engine