Compound Detail
CHEMBL1929362
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Basic Information
| ChEMBL ID | CHEMBL1929362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACCWAOKNDZJAQS-WBWMCNGVSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
4.88
ALogP
3
HBA
1
HBD
36.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.91
EC50 1 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 8.91 | 8.91 | 1.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.63 | 8.63 | 2.3 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.49 | 6.49 | 322.8 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.29 | 6.29 | 516.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 1.22 | nM | 8.91 | Displacement of [3H]DADLE from delta opioid receptor in rat cerebrum membranes | 22197670 |
| Delta-type opioid receptor | EC50 | = | 2.34 | nM | 8.63 | Agonist activity at human recombinant delta opioid receptor expressed in human H... | 22197670 |
| Mu-type opioid receptor | Ki | = | 322.8 | nM | 6.49 | Displacement of [3H]DAMGO from mu opioid receptor in rat cerebrum membranes | 22197670 |
| Kappa-type opioid receptor | Ki | = | 516.2 | nM | 6.29 | Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebrum m... | 22197670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22197670 | 10.1016/j.bmc.2011.11.047 | Delta-type opioid receptor | 2 |
| 22197670 | 10.1016/j.bmc.2011.11.047 | Unchecked | 2 |
| 22197670 | 10.1016/j.bmc.2011.11.047 | Mu-type opioid receptor | 1 |
| 22197670 | 10.1016/j.bmc.2011.11.047 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine