Compound Detail
CHEMBL22005
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Basic Information
| ChEMBL ID | CHEMBL22005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIDXMUJJERVIFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
255.4
MW (Da)
4.35
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Lysosomal Pro-X carboxypeptidase CHEMBL2335 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor | 2542555 |
| Lysosomal Pro-X carboxypeptidase | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to phencyclidine... | 2542555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2542555 | 10.1021/jm00126a016 | Lysosomal Pro-X carboxypeptidase | 1 |
| 2542555 | 10.1021/jm00126a016 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine