Compound Detail
CHEMBL60547
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Basic Information
| ChEMBL ID | CHEMBL60547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQLPLYSROCPWFF-ZWKOTPCHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
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 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.09 | 6.845 | 81.0 | 2 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.78 | 6.78 | 167.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.43 | 5.43 | 3726.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 81.0 | nM | 7.09 | Compound was evaluated for binding affinity towards sigma opioid receptor using ... | 2547074 |
| Kappa-type opioid receptor | Ki | = | 167.0 | nM | 6.78 | Compound was evaluated for binding affinity towards kappa opioid receptor using ... | 2547074 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 250.0 | nM | 6.6 | Compound was evaluated for binding affinity towards sigma opioid receptor using ... | 2547074 |
| D(2) dopamine receptor | Ki | = | 3726.0 | nM | 5.43 | Compound was evaluated for binding affinity towards Dopamine receptor D2 using [... | 2547074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2547074 | 10.1021/jm00128a050 | Kappa-type opioid receptor | 2 |
| 2547074 | 10.1021/jm00128a050 | Sigma non-opioid intracellular receptor 1 | 2 |
| 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