Compound Detail
CHEMBL1193539
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Basic Information
| ChEMBL ID | CHEMBL1193539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXNZLOIPQFMHLT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.0
MW (Da)
7.02
ALogP
5
HBA
1
HBD
49.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 10.34 | 10.34 | 0.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.046 | nM | 10.34 | Displacement of [3H]17beta-estradiol from ER in human MCF7 cells after 18 hrs by... | 28759875 |
| MCF7 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of 17beta-estradiol-induced human MCF7 cells proliferation assessed a... | 28759875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28759875 | 10.1016/j.ejmech.2017.07.038 | Estrogen receptor | 1 |
| 28759875 | 10.1016/j.ejmech.2017.07.038 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine