Compound Detail
CHEMBL3235466
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Basic Information
| ChEMBL ID | CHEMBL3235466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJJAAHSNJCZQSF-UKWFNHDFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.49
ALogP
4
HBA
2
HBD
60.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.78 | 7.78 | 16.5 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.51 | 5.51 | 3063.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 16.5 | nM | 7.78 | Binding affinity to sigma-2 opioid receptor (unknown origin) | 23734634 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3063.0 | nM | 5.51 | Binding affinity to sigma-1 opioid receptor (unknown origin) | 23734634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23734634 | 10.1021/jm301545c | Unchecked | 2 |
| 23734634 | 10.1021/jm301545c | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine