Compound Detail
CHEMBL4082510
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Basic Information
| ChEMBL ID | CHEMBL4082510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBSUYYXASXMBHB-NTEUORMPSA-N |
1
Targets
4
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
7.29
ALogP
4
HBA
2
HBD
66.8
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 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 9.4 | 8.81 | 0.4 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1176.0 | nM | Mus musculus |
| F | 13.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 0.4 | nM | 9.4 | Induction of selective estrogen receptor alpha degradation in human MCF7 cells a... | 29562737 |
| Estrogen receptor | IC50 | = | 0.4 | nM | 9.4 | ERalpha Degradation (MCF7 Cells): Plate MCF7 cells at 0.3 million cells/mL (100 ... | - |
| Estrogen receptor | IC50 | = | 6.0 | nM | 8.22 | Induction of selective estrogen receptor alpha degradation in human MCF7 cells h... | 29562737 |
| Estrogen receptor | IC50 | = | 6.0 | nM | 8.22 | 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