Compound Detail
CHEMBL301867
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Basic Information
| ChEMBL ID | CHEMBL301867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQLPLYSROCPWFF-MSOLQXFVSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
4.40
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.93
IC50 1 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.93 | 6.795 | 118.0 | 2 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.71 | 6.71 | 194.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 5.57 | 5.57 | 2715.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 4.85 | 4.85 | 14039.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 118.0 | nM | 6.93 | Compound was evaluated for binding affinity towards sigma opioid receptor using ... | 2547074 |
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 194.0 | nM | 6.71 | Binding affinity for sigma opioid receptor using [3H](+)-3-PPP as radioligand | 2172538 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 221.0 | nM | 6.66 | Compound was evaluated for binding affinity towards sigma opioid receptor using ... | 2547074 |
| Kappa-type opioid receptor | Ki | = | 2715.0 | nM | 5.57 | Compound was evaluated for binding affinity towards kappa opioid receptor using ... | 2547074 |
| D(2) dopamine receptor | Ki | = | 14039.0 | nM | 4.85 | Compound was evaluated for binding affinity towards Dopamine receptor D2 using [... | 2547074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2172538 | 10.1021/jm00173a030 | Kappa-type opioid receptor | 2 |
| 2547074 | 10.1021/jm00128a050 | Kappa-type opioid receptor | 2 |
| 2547074 | 10.1021/jm00128a050 | Sigma non-opioid intracellular receptor 1 | 2 |
| 2172538 | 10.1021/jm00173a030 | Sigma non-opioid intracellular receptor 1 | 1 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
| 2547074 | 10.1021/jm00128a050 | D(2) dopamine receptor | 1 |
| 2547074 | 10.1021/jm00128a050 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| 2547074 | 10.1021/jm00128a050 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine