Compound Detail
CHEMBL2064190
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 | CHEMBL2064190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGZBONPCLIODFA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
4.09
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.19 | 7.19 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid re... | 22515405 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain c... | 24913984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22515405 | 10.1021/jm300302p | Unchecked | 3 |
| 24913984 | 10.1016/j.bmc.2014.05.033 | Unchecked | 2 |
| 22515405 | 10.1021/jm300302p | Sigma non-opioid intracellular receptor 1 | 1 |
| 24913984 | 10.1016/j.bmc.2014.05.033 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine