Compound Detail
CHEMBL4204138
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CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(CNc4ccccc4F)O[C@H](C4=CCOC4=O)C[C@H]32)[C@]1(C)CO[Si](C(C)C)(C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4204138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDDBCAIBYYDCAC-UFVCMBBUSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
657.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8050.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.82 | 4.82 | 15310.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.68 | 4.68 | 21020.0 | 1 |
| P388 CHEMBL389 | IC50 | 4.67 | 4.67 | 21420.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.52 | 4.52 | 30250.0 | 1 |
| KB CHEMBL398 | IC50 | 4.51 | 4.51 | 30780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8050.0 | nM | 5.09 | Cytotoxicity against rat ASK cells assessed as reduction in cell viability by SR... | 28755636 |
| MCF7 | IC50 | = | 15310.0 | nM | 4.82 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability by... | 28755636 |
| A549 | IC50 | = | 21020.0 | nM | 4.68 | Cytotoxicity against human A549 cells assessed as reduction in cell viability by... | 28755636 |
| P388 | IC50 | = | 21420.0 | nM | 4.67 | Cytotoxicity against mouse P388 cells assessed as reduction in cell viability by... | 28755636 |
| HT-29 | IC50 | = | 30250.0 | nM | 4.52 | Cytotoxicity against human HT-29 cells assessed as reduction in cell viability b... | 28755636 |
| KB | IC50 | = | 30780.0 | nM | 4.51 | Cytotoxicity against human KB cells assessed as reduction in cell viability by S... | 28755636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28755636 | 10.1016/j.ejmech.2017.07.035 | HT-29 | 1 |
| 28755636 | 10.1016/j.ejmech.2017.07.035 | KB | 1 |
| 28755636 | 10.1016/j.ejmech.2017.07.035 | P388 | 1 |
| 28755636 | 10.1016/j.ejmech.2017.07.035 | MCF7 | 1 |
| 28755636 | 10.1016/j.ejmech.2017.07.035 | A549 | 1 |
| 28755636 | 10.1016/j.ejmech.2017.07.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine