Compound Detail
CHEMBL304079
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 | CHEMBL304079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKNHUIXLSVIRTO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
245.4
MW (Da)
4.13
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 10.15 | 10.15 | 0.1 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 10.15 | 10.15 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.07 | nM | 10.15 | Binding affinity for Sigma receptor type 1,using [3H](+)-pentazocine as radiolig... | 15081012 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 0.07 | nM | 10.15 | Displacement of (+)-[3H]pentazocine from guinea pig brain membrane sigma1 recept... | 28244748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081012 | 10.1016/j.bmcl.2004.02.018 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine