Compound Detail
CHEMBL563001
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Basic Information
| ChEMBL ID | CHEMBL563001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPGCVPHXEZTDIN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.12
ALogP
4
HBA
0
HBD
38.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 6.62 | 6.62 | 239.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6.94 | nM | 8.16 | Displacement of [3H]DTG from sigma2 receptor in rat liver membrane by liquid sci... | 19673530 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 239.0 | nM | 6.62 | Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane b... | 19673530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19673530 | 10.1021/jm900366z | Unchecked | 2 |
| 19673530 | 10.1021/jm900366z | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine