Compound Detail
CHEMBL499449
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CC(=O)N[C@H]1[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](COC(C)=O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H]6O)[C@H](O)C[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL499449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYZQUEGBQIPUMH-MTABPQSOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1702.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.A1 CHEMBL614040 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.A1 | IC50 | = | 2900.0 | nM | 5.54 | Antiproliferative activity against mouse J774A1 cells after 72 hrs by MTT conver... | 16989528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16989528 | 10.1021/np060257w | HEK293 | 1 |
| 16989528 | 10.1021/np060257w | J774.A1 | 1 |
| 16989528 | 10.1021/np060257w | WEHI-164 | 1 |
Data from ChEMBL 36 via Core Engine