Compound Detail
CHEMBL138533
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Basic Information
| ChEMBL ID | CHEMBL138533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKPOCZWYSVSUHR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.20
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.13 | 8.13 | 7.3 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.12 | 6.12 | 761.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.33 | nM | 8.13 | Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of gui... | 12383018 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.33 | nM | 8.13 | Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-p... | 11784148 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 761.0 | nM | 6.12 | Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazoci... | 12383018 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 761.0 | nM | 6.12 | Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguani... | 11784148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784148 | 10.1021/jm010992z | Sigma non-opioid intracellular receptor 1 | 3 |
| 12383018 | 10.1021/jm020889p | Sigma non-opioid intracellular receptor 1 | 2 |
| 12383018 | 10.1021/jm020889p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine