Compound Detail
CHEMBL3735187
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
CCCCN(O)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Basic Information
| ChEMBL ID | CHEMBL3735187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNCKADBCRQFOPH-XEXYCPDTSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
527.8
MW (Da)
7.75
ALogP
4
HBA
3
HBD
81.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 5.68 | 5.635 | 2100.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.04 | 5.04 | 9110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 2100.0 | nM | 5.68 | Antagonist activity at ERalpha in human T47D-KBLuc cells assessed as inhibition ... | 26613635 |
| Estrogen receptor | IC50 | = | 2550.0 | nM | 5.59 | Antagonist activity at luciferase-fused ERalpha in human HEK293 cells expressing... | 26613635 |
| MCF7 | IC50 | = | 9110.0 | nM | 5.04 | Antiproliferative activity against human MCF7 cells treated for 48 hrs followed ... | 26613635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26613635 | 10.1016/j.bmc.2015.11.005 | Estrogen receptor | 3 |
| 26613635 | 10.1016/j.bmc.2015.11.005 | Histone deacetylase 3 | 1 |
| 26613635 | 10.1016/j.bmc.2015.11.005 | Histone deacetylase 6 | 1 |
| 26613635 | 10.1016/j.bmc.2015.11.005 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine