Compound Detail
CHEMBL333410
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Basic Information
| ChEMBL ID | CHEMBL333410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRPRNNRJTCONEC-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.87
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.38
Ki 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
| Mus musculus CHEMBL375 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 0.42 | nM | 9.38 | Inhibitory effect in isolated tissues of guinea pig ileum(GPI). | 7658453 |
| Mus musculus | IC50 | = | 0.59 | nM | 9.23 | Inhibitory effect in isolated tissues of Mouse vas deferens (MVD). | 7658453 |
| Delta-type opioid receptor | Ki | = | 114.0 | nM | 6.94 | Inhibition against delta-opioid receptor using [3H]DPDPE radioligand. | 7658453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658453 | 10.1021/jm00018a026 | Mus musculus | 5 |
| 7658453 | 10.1021/jm00018a026 | Mu-type opioid receptor | 1 |
| 7658453 | 10.1021/jm00018a026 | Delta-type opioid receptor | 1 |
| 7658453 | 10.1021/jm00018a026 | Cavia porcellus | 1 |
| 7658453 | 10.1021/jm00018a026 | Oryctolagus cuniculus | 1 |
| 7658453 | 10.1021/jm00018a026 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine