Compound Detail
CHEMBL4102815
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4102815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLFWTSTZSDJCFU-KGVSQERTSA-N |
1
Targets
5
Activities
2
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
5.87
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
EC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.58 | 6.855 | 26.0 | 4 |
| Estrogen receptor CHEMBL206 | EC50 | 7.51 | 7.51 | 31.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 54.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | - | - | Mus musculus |
| Cmax | 80.0 | nM | Rattus norvegicus |
| Cmax | - | - | Mus musculus |
| F | 6.0 | % | Rattus norvegicus |
| F | - | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 26.0 | nM | 7.58 | Induction of selective estrogen receptor alpha degradation in human MCF7 cells a... | 29562737 |
| Estrogen receptor | IC50 | = | 26.0 | nM | 7.58 | ERalpha Degradation (MCF7 Cells): Plate MCF7 cells at 0.3 million cells/mL (100 ... | - |
| Estrogen receptor | EC50 | = | 31.0 | nM | 7.51 | Induction of ERalpha degradation (unknown origin) | 37377342 |
| Estrogen receptor | IC50 | = | 748.0 | nM | 6.13 | Induction of selective estrogen receptor alpha degradation in human MCF7 cells h... | 29562737 |
| Estrogen receptor | IC50 | = | 748.0 | nM | 6.13 | 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 | Rattus norvegicus | 3 |
| 29562737 | 10.1021/acs.jmedchem.7b01682 | Mus musculus | 3 |
| 29562737 | 10.1021/acs.jmedchem.7b01682 | No relevant target | 1 |
| 37377342 | 10.1021/acs.jmedchem.3c00136 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine