Compound Detail
CHEMBL2205831
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 | CHEMBL2205831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRBNCHNWWUXYEM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
2.33
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.66 | 8.66 | 2.2 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.17 | 8.17 | 6.7 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.55 | 5.55 | 2830.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.2 | nM | 8.66 | Displacement of [3H]DTG from rat PC12 cells sigma 2 receptor | 22959245 |
| Unchecked | Ki | = | 2.2 | nM | 8.66 | Displacement of [3H]-DTG from sigma-2 receptor in rat PC12 cells | 23981939 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.7 | nM | 8.17 | Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor | 22959245 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 6.7 | nM | 8.17 | Displacement of [3H](+)-pentazocine from sigma-1 receptor in rat brain homogenat... | 23981939 |
| D(2) dopamine receptor | Ki | = | 2830.0 | nM | 5.55 | Binding affinity to D2 dopamine receptor | 22959245 |
| D(2) dopamine receptor | Ki | = | 2830.0 | nM | 5.55 | Inhibition of dopamine D2 receptor (unknown origin) by PDSP assay | 23981939 |
Literature References
Data from ChEMBL 36 via Core Engine