Compound Detail
CHEMBL5567608
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COc1ccc(-c2cc(OC)c3[nH]c(=O)n(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1O
Basic Information
| ChEMBL ID | CHEMBL5567608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHRJUFAZUNPAHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.73
ALogP
8
HBA
2
HBD
104.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 360.0 | nM | 6.44 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 38996194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38996194 | 10.1021/acs.jmedchem.4c00878 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine