Compound Detail
CHEMBL3326011
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COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCCSSCCCC(=O)OCCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL3326011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEGISWMWHWVYEX-DGDKDOTESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1003.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 60.0 | nM | 7.22 | Cytotoxicity against human MCF7 cells in presence of 10 mM DTT after 48 hrs by S... | 25084144 |
| MCF7 | IC50 | = | 400.0 | nM | 6.4 | Cytotoxicity against human MCF7 cells after 48 hrs by SRB assay | 25084144 |
| A549 | IC50 | = | 7640.0 | nM | 5.12 | Cytotoxicity against human A549 cells after 48 hrs by SRB assay | 25084144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25084144 | 10.1016/j.ejmech.2014.07.035 | No relevant target | 9 |
| 25084144 | 10.1016/j.ejmech.2014.07.035 | Unchecked | 2 |
| 25084144 | 10.1016/j.ejmech.2014.07.035 | MCF7 | 2 |
| 25084144 | 10.1016/j.ejmech.2014.07.035 | Serum | 1 |
| 25084144 | 10.1016/j.ejmech.2014.07.035 | A549 | 1 |
Data from ChEMBL 36 via Core Engine