Compound Detail
CHEMBL4554684
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 | CHEMBL4554684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJOTVKIMZYPXQE-DHZHZOJOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.87
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 4.4 | 4.4 | 39810.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.11 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 39810.72 | nM | 4.4 | Binding affinity to recombinant human GST-tagged ERalpha LBD expressed in baculo... | 30640465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30640465 | 10.1021/acs.jmedchem.8b01837 | Estrogen receptor | 2 |
| 30640465 | 10.1021/acs.jmedchem.8b01837 | ADMET | 2 |
| 30640465 | 10.1021/acs.jmedchem.8b01837 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine