Compound Detail
CHEMBL3303774
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Basic Information
| ChEMBL ID | CHEMBL3303774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRSUTWWKYIVBEU-HZCBDIJESA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
5.14
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.75
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.06
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 9.06 | 9.06 | 0.9 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.44 | 8.44 | 3.6 | 1 |
| Nociceptin receptor CHEMBL2014 | EC50 | 7.94 | 7.94 | 11.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 0.79 | nM | 9.1 | Agonist activity at human DOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Mu-type opioid receptor | EC50 | = | 0.87 | nM | 9.06 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Kappa-type opioid receptor | EC50 | = | 3.65 | nM | 8.44 | Agonist activity at human KOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Nociceptin receptor | EC50 | = | 11.39 | nM | 7.94 | Agonist activity at human NOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Mu-type opioid receptor | 6 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Kappa-type opioid receptor | 4 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Delta-type opioid receptor | 2 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Nociceptin receptor | 2 |
Data from ChEMBL 36 via Core Engine