Compound Detail
CHEMBL5283812
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C[C@]12C[C@H](c3ccc(OCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)cc3)C3c4ccc(O)cc4CCC3C1CC[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL5283812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDCUWFRXMLQNCS-KRTCSUGDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
658.8
MW (Da)
7.94
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 0.13 | nM | 9.89 | Antiproliferative activity against human MCF7 cells | 33138369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33138369 | 10.1021/acs.jmedchem.0c00913 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine