Compound Detail
CHEMBL184074
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Basic Information
| ChEMBL ID | CHEMBL184074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYJSJVYJLZOMCD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
513.7
MW (Da)
7.75
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL2093866 | IC50 | 8.85 | 7.95 | 1.4 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 1.4 | nM | 8.85 | Inhibition of ER-MDA-MB 231 breast cancer cell proliferation over 200 hr | 15324884 |
| Estrogen receptor | IC50 | = | 20.0 | nM | 7.7 | Inhibition of 10e-9 M E2 stimulated transcriptional activation in ER+MCF-7/2a br... | 15324884 |
| Estrogen receptor | IC50 | = | 50.0 | nM | 7.3 | Inhibition of 10e-9 M E2 stimulated MCF-7 breast cancer cell proliferation | 15324884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324884 | 10.1016/j.bmcl.2004.06.098 | Estrogen receptor | 6 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine