Compound Detail
CHEMBL4064785
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Basic Information
| ChEMBL ID | CHEMBL4064785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLWKJMJGMQBKLS-KGVSQERTSA-N |
1
Targets
3
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
7.18
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.47 | 6.51 | 34.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 985.0 | nM | Rattus norvegicus |
| Cmax | 1380.0 | nM | Mus musculus |
| F | 74.0 | % | Rattus norvegicus |
| F | 28.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 34.0 | nM | 7.47 | ERalpha Degradation (MCF7 Cells): Plate MCF7 cells at 0.3 million cells/mL (100 ... | - |
| Estrogen receptor | IC50 | = | 941.0 | nM | 6.03 | Induction of selective estrogen receptor alpha degradation in human MCF7 cells h... | 29562737 |
| Estrogen receptor | IC50 | = | 941.0 | nM | 6.03 | 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 | Rattus norvegicus | 3 |
| 29562737 | 10.1021/acs.jmedchem.7b01682 | Mus musculus | 3 |
| 29562737 | 10.1021/acs.jmedchem.7b01682 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine