Compound Detail
CHEMBL3218992
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 | CHEMBL3218992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDXZPNWQDNHHSU-MOPGFXCFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
3.27
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 79.43 | nM | 7.1 | Displacement of [3H]-pentazocine from human recombinant sigma-1 receptor express... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00010A | No relevant target | 3 |
| - | 10.1039/C1MD00010A | Liver microsome | 2 |
| - | 10.1039/C1MD00010A | Unchecked | 2 |
| - | 10.1039/C1MD00010A | Sigma non-opioid intracellular receptor 1 | 1 |
| - | 10.1039/C1MD00010A | Caco-2 | 1 |
| - | 10.1039/C1MD00010A | Histamine H3 receptor | 1 |
| - | 10.1039/C1MD00010A | Nucleic Acid | 1 |
| - | 10.1039/C1MD00010A | Liver | 1 |
| - | 10.1039/C1MD00010A | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine