Compound Detail
CHEMBL4168979
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 | CHEMBL4168979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZSQITFUKMILSZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
495.8
MW (Da)
9.00
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.19
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.31 | 7.83 | 4.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 4.9 | nM | 8.31 | Displacement of Fluormone ES2 Green from full-length untagged human ERalpha expr... | 30108709 |
| Estrogen receptor | IC50 | = | 45.0 | nM | 7.35 | Antagonist activity at GAL4-fused human ERalpha LBD expressed in HEK293 cells as... | 30108709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108709 | 10.1039/C6MD00553E | Estrogen receptor | 12 |
| 30108709 | 10.1039/C6MD00553E | Aryl hydrocarbon receptor | 6 |
| 30108709 | 10.1039/C6MD00553E | Vitamin D3 receptor | 6 |
| 30108709 | 10.1039/C6MD00553E | Androgen receptor | 6 |
Data from ChEMBL 36 via Core Engine