Compound Detail
CHEMBL292033
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
COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c([C@H]3CC[C@@H](O)CC3)sc2c1
Basic Information
| ChEMBL ID | CHEMBL292033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKJWZHOLRCXTSA-SZPZYZBQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.7
MW (Da)
6.02
ALogP
6
HBA
1
HBD
59.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human MCF7 cells | 22405286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00575-E | Estrogen receptor | 7 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | Estrogen receptor | 2 |
| 22405286 | 10.1016/j.ejmech.2012.02.021 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine