Compound Detail
CHEMBL5593921
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O=C(O)COc1ccc(C2=C3C=c4sc5cc(Br)sc5c4=[N+]3[B-](F)(F)n3c2cc2sc4cc(Br)sc4c23)cc1
Basic Information
| ChEMBL ID | CHEMBL5593921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQJKFDZELAJIED-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
724.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ECa-109 cell line CHEMBL614668 | IC50 | 6.82 | 6.33 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ECa-109 cell line | IC50 | = | 150.0 | nM | 6.82 | Phototoxicity against human Eca-109 cells assessed as inhibition of cell growth ... | 38056302 |
| ECa-109 cell line | IC50 | = | 1430.0 | nM | 5.84 | Cytotoxicity against human Eca-109 cells assessed as inhibition of cell growth i... | 38056302 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38056302 | 10.1016/j.ejmech.2023.116012 | ECa-109 cell line | 15 |
| 38056302 | 10.1016/j.ejmech.2023.116012 | ADMET | 4 |
| 38056302 | 10.1016/j.ejmech.2023.116012 | No relevant target | 2 |
| 38056302 | 10.1016/j.ejmech.2023.116012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine