Compound Detail
CHEMBL509054
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Basic Information
| ChEMBL ID | CHEMBL509054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGTWLCWQXIFUIM-PDAVGIGWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.23
ALogP
4
HBA
1
HBD
66.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.5 | 7.5 | 32.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 3.2 | nM | 8.49 | Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO ce... | 18417347 |
| Mu-type opioid receptor | Ki | = | 32.0 | nM | 7.5 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | 18417347 |
| Delta-type opioid receptor | Ki | = | 1900.0 | nM | 5.72 | Displacement of [3H]naltrindole from human delta opioid receptor expressed in CH... | 18417347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18417347 | 10.1016/j.bmc.2008.03.066 | Mu-type opioid receptor | 1 |
| 18417347 | 10.1016/j.bmc.2008.03.066 | Delta-type opioid receptor | 1 |
| 18417347 | 10.1016/j.bmc.2008.03.066 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine