Compound Detail
CHEMBL383372
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
CCC1=C(c2ccc(O)cc2)C(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c2cc(O)ccc21
Basic Information
| ChEMBL ID | CHEMBL383372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDMZTIOJCDWABL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
6.02
ALogP
5
HBA
3
HBD
82.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.83
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Estrogen receptor beta CHEMBL242 | Ki | 6.83 | 6.83 | 147.0 | 1 |
| Estrogen receptor CHEMBL206 | Ki | 6.74 | 6.74 | 184.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 100.0 | nM | 7.0 | Transcriptional activation of estrogen receptor alpha in U2OS cell using estroge... | 16162002 |
| Estrogen receptor beta | Ki | = | 147.0 | nM | 6.83 | Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estra... | 16162002 |
| Estrogen receptor | Ki | = | 184.0 | nM | 6.74 | Antagonistic activity against estrogen receptor alpha in presence of 0.1 nM estr... | 16162002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162002 | 10.1021/jm050226i | Estrogen receptor | 4 |
| 16162002 | 10.1021/jm050226i | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine