Compound Detail
CHEMBL5778441
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
N#Cc1ccc([C@H]2CCc3cc(O)ccc3[C@H]2c2ccc(OCCN3CC(CF)C3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5778441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOECMLXBVJIXCO-PXJZQJOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
5.41
ALogP
4
HBA
1
HBD
56.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 53.0 | nM | 7.28 | Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... | - |
Data from ChEMBL 36 via Core Engine