Compound Detail
CHEMBL542329
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Basic Information
| ChEMBL ID | CHEMBL542329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDQPNBRWTFHQEJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191256 |
| Active Moiety | CHEMBL1191256 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
7.00
ALogP
6
HBA
2
HBD
52.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 0.28 | nM | 9.55 | Inhibition of estrogen-induced proliferation in human MCF-7 breast cancer cells | 9154963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154963 | 10.1021/jm970167b | Estrogen receptor | 2 |
| 9154963 | 10.1021/jm970167b | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine