Compound Detail
CHEMBL481425
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Basic Information
| ChEMBL ID | CHEMBL481425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTMXOVNSECYFSK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.14
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.76
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.03 | 7.03 | 92.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]RHM-1 from sigma 2-type opioid receptor in rat liver homogen... | 19119012 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 92.5 | nM | 7.03 | Displacement of [3H](+)-pentazocine from sigma 1-type opioid receptor in guinea ... | 19119012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19119012 | 10.1016/j.bmc.2008.12.025 | Sigma non-opioid intracellular receptor 1 | 1 |
| 19119012 | 10.1016/j.bmc.2008.12.025 | Unchecked | 1 |
| 19119012 | 10.1016/j.bmc.2008.12.025 | 5-hydroxytryptamine receptor 3A | 1 |
| 19119012 | 10.1016/j.bmc.2008.12.025 | 5-hydroxytryptamine receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine