Compound Detail
CHEMBL5542870
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Basic Information
| ChEMBL ID | CHEMBL5542870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLOIDCOQGLYRLQ-KDURUIRLSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
3.29
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.57
IC50 2 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 9.57 | 8.34 | 0.3 | 2 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 7.63 | 7.63 | 23.5 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.16 | 6.16 | 698.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 0.27 | nM | 9.57 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Delta-type opioid receptor | IC50 | = | 23.51 | nM | 7.63 | Agonist activity at human DOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Mu-type opioid receptor | EC50 | = | 77.24 | nM | 7.11 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as decrease in ... | 38810170 |
| Kappa-type opioid receptor | IC50 | = | 698.13 | nM | 6.16 | Antagonist activity at human KOR expressed in CHO-K1 cells assessed as cAMP leve... | 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 | 3 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Delta-type opioid receptor | 2 |
| 38810170 | 10.1021/acs.jmedchem.4c00333 | Nociceptin receptor | 1 |
Data from ChEMBL 36 via Core Engine