Compound Detail
CHEMBL22053
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Basic Information
| ChEMBL ID | CHEMBL22053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYXSVGVQGFPNRQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
1.67
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas.
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor | 2542555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23270663 | 10.1016/j.bmc.2012.11.038 | Unchecked | 5 |
| 2374149 | 10.1021/jm00170a029 | Sodium-dependent dopamine transporter | 2 |
| 23270663 | 10.1016/j.bmc.2012.11.038 | ADMET | 2 |
| 10091706 | 10.1016/s0960-894x(99)00022-0 | Phenylethanolamine N-methyltransferase | 1 |
| 10091706 | 10.1016/s0960-894x(99)00022-0 | Adrenergic receptor alpha-2 | 1 |
| 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