Compound Detail
CHEMBL4525954
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
CCCCCCCCCCn1c(=O)n(CCCCN2CCN(c3ccc(F)cc3)CC2)c2ccc(C(C)=O)cc21
Basic Information
| ChEMBL ID | CHEMBL4525954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSKSDAIMHBJJPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.8
MW (Da)
6.89
ALogP
6
HBA
0
HBD
50.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 7.49 | 7.49 | 32.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.0 | 6.0 | 988.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 32.5 | nM | 7.49 | Displacement of [3H]-DTG from sigma2 receptor in rat brain membranes after 120 m... | 30685525 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 988.0 | nM | 6.0 | Displacement of [3H](+)-pentazocine from sigma1 receptor in rat brain membranes ... | 30685525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30685525 | 10.1016/j.ejmech.2019.01.019 | Sigma intracellular receptor 2 | 1 |
| 30685525 | 10.1016/j.ejmech.2019.01.019 | Sigma non-opioid intracellular receptor 1 | 1 |
| 30685525 | 10.1016/j.ejmech.2019.01.019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine