Compound Detail
CHEMBL3233176
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COc1ccc(C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](OC(C)=O)[C@H](O[C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](O)CC[C@]7(C)[C@H]6CC[C@]5(C)[C@@]4(O)[C@H](C)C(=O)CCC(C)C)OC[C@@H]3O)OC[C@@H](O)[C@@H]2OC(=O)CN(C)c2ccc(S(=O)(=O)N(C)C)c3nonc23)cc1
Basic Information
| ChEMBL ID | CHEMBL3233176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RURWBATZJVQQIR-FXMGIAAZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1169.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 5.0 | nM | 8.3 | Cytotoxicity against human HeLa cells after 24 hrs by XTT assay | 24613377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24613377 | 10.1016/j.bmcl.2014.02.009 | ADMET | 5 |
| 24613377 | 10.1016/j.bmcl.2014.02.009 | HeLa | 4 |
Data from ChEMBL 36 via Core Engine