Compound Detail
CHEMBL4086984
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Basic Information
| ChEMBL ID | CHEMBL4086984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISQZMGYHUDJDRI-NRUITVPNSA-N |
1
Targets
4
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
6.22
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.22 | 7.485 | 6.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Mus musculus |
| Cmax | - | - | Mus musculus |
| F | - | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 6.0 | nM | 8.22 | Induction of selective estrogen receptor alpha degradation in human MCF7 cells a... | 29562737 |
| Estrogen receptor | IC50 | = | 6.0 | nM | 8.22 | ERalpha Degradation (MCF7 Cells): Plate MCF7 cells at 0.3 million cells/mL (100 ... | - |
| Estrogen receptor | IC50 | = | 179.0 | nM | 6.75 | Induction of selective estrogen receptor alpha degradation in human MCF7 cells h... | 29562737 |
| Estrogen receptor | IC50 | = | 179.0 | nM | 6.75 | ER Transcription Assay (MCF7 Cells): The ER transcription assay is a reporter as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29562737 | 10.1021/acs.jmedchem.7b01682 | Estrogen receptor | 3 |
| 29562737 | 10.1021/acs.jmedchem.7b01682 | Mus musculus | 3 |
Data from ChEMBL 36 via Core Engine