Compound Detail
CHEMBL106027
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Basic Information
| ChEMBL ID | CHEMBL106027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPJMFYKZWMSEIT-AGRHKRQWSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
2.49
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 9.6 | 9.6 | 0.2 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.76 | 8.76 | 1.7 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 8.67 | 8.67 | 2.1 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.25 | nM | 9.6 | In vivo binding affinity against mu opioid receptor was measured by using labele... | 7932535 |
| Kappa-type opioid receptor | Ki | = | 1.73 | nM | 8.76 | In vivo binding affinity against kappa opioid receptor was measured by using lab... | 7932535 |
| Delta-type opioid receptor | Ki | = | 2.15 | nM | 8.67 | In vivo binding affinity against delta Opioid receptor was measured by using lab... | 7932535 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 710.0 | nM | 6.15 | In vivo binding affinity against sigma Opioid receptor was measured by using lab... | 7932535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932535 | 10.1021/jm00045a017 | Mus musculus | 2 |
| 7932535 | 10.1021/jm00045a017 | Mu-type opioid receptor | 1 |
| 7932535 | 10.1021/jm00045a017 | Kappa-type opioid receptor | 1 |
| 7932535 | 10.1021/jm00045a017 | Delta-type opioid receptor | 1 |
| 7932535 | 10.1021/jm00045a017 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine