Compound Detail
CHEMBL1833984
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CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL1833984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAVHSWOJPOOWEG-HJFAYSLPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1089.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of NF-kappaB activation expressed in TNFalpha-stimulated human HepG2 ... | 21889336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889336 | 10.1016/j.bmcl.2011.08.024 | Unchecked | 3 |
| 21889336 | 10.1016/j.bmcl.2011.08.024 | Peroxisome proliferator-activated receptor alpha | 1 |
| 21889336 | 10.1016/j.bmcl.2011.08.024 | HepG2 | 1 |
| 21889336 | 10.1016/j.bmcl.2011.08.024 | Peroxisome proliferator-activated receptor delta | 1 |
| 21889336 | 10.1016/j.bmcl.2011.08.024 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine