Compound Detail
CHEMBL1822599
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
CN(C)c1cccc2c(S(=O)(=O)NCCCCCCOc3cccc4c3CCCC4CCCN3CCN(C4CCCCC4)CC3)cccc12
Basic Information
| ChEMBL ID | CHEMBL1822599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFHFKTDGQUMDJY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
689.0
MW (Da)
7.97
ALogP
6
HBA
1
HBD
65.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.04 | 8.04 | 9.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.68 | 7.68 | 20.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.08 | nM | 8.04 | Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain mem... | 21744858 |
| Unchecked | Ki | = | 20.8 | nM | 7.68 | Displacement of [3H]-DTG from sigma 2 receptor from rat liver in presence of pan... | 21744858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21744858 | 10.1021/jm200591t | Sigma non-opioid intracellular receptor 1 | 1 |
| 21744858 | 10.1021/jm200591t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine