Compound Detail
CHEMBL1189823
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 | CHEMBL1189823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEOZYMCFSRFTKA-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
5.55
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.0
Ki 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.53 | 7.53 | 29.5 | 1 |
| MCF7 CHEMBL387 | EC50 | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.16 | nM | 8.21 | Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain... | 23415062 |
| Unchecked | Ki | = | 29.5 | nM | 7.53 | Displacement of [3H]DTG from sigma 2 receptor in Wistar Hannover rat liver membr... | 23415062 |
| MCF7 | EC50 | = | 100000.0 | nM | 4.0 | Antiproliferative activity against human MCF7 cells transfected with human sigma... | 23415062 |
| MCF7 | EC50 | = | 100000.0 | nM | 4.0 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 23415062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23415062 | 10.1016/j.bmc.2013.01.034 | MCF7 | 4 |
| 23415062 | 10.1016/j.bmc.2013.01.034 | Unchecked | 2 |
| 23415062 | 10.1016/j.bmc.2013.01.034 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine