Compound Detail
CHEMBL3325841
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Basic Information
| ChEMBL ID | CHEMBL3325841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POYRFSUTMLLSAC-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.1
MW (Da)
4.71
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
EC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.47 | 5.47 | 3380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human mu opioid receptor expressed CHO-K1 cells coexpressing... | 25087049 |
| Kappa-type opioid receptor | IC50 | = | 1100.0 | nM | 5.96 | Agonist activity at human kappa opioid receptor expressed in HEK293 cells assess... | 25087049 |
| Mu-type opioid receptor | IC50 | = | 3380.0 | nM | 5.47 | Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed ... | 25087049 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25087049 | 10.1016/j.bmc.2014.07.012 | Mu-type opioid receptor | 3 |
| 25087049 | 10.1016/j.bmc.2014.07.012 | Kappa-type opioid receptor | 1 |
| 25087049 | 10.1016/j.bmc.2014.07.012 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine