Compound Detail
CHEMBL121211
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Basic Information
| ChEMBL ID | CHEMBL121211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRPRNNRJTCONEC-NYVOZVTQSA-N |
4
Targets
8
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 4 meas. best 10.1
Ki 4 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 10.1 | 9.345 | 0.1 | 2 |
| Mus musculus CHEMBL375 | IC50 | 10.0 | 9.155 | 0.1 | 2 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 7.05 | 6.845 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 0.08 | nM | 10.1 | Inhibitory effect in isolated tissues of guinea pig ileum(GPI). | 7658453 |
| Mus musculus | IC50 | = | 0.1 | nM | 10.0 | Inhibitory effect in isolated tissues of Mouse vas deferens (MVD). | 7658453 |
| Mu-type opioid receptor | Ki | = | 0.15 | nM | 9.82 | Inhibition against Opioid receptor mu 1 using [3H]- DAMGO radioligand. | 7658453 |
| Cavia porcellus | IC50 | = | 2.58 | nM | 8.59 | Inhibitory effect in isolated tissues of guinea pig ileum(GPI). | 7658453 |
| Mus musculus | IC50 | = | 4.87 | nM | 8.31 | Inhibitory effect in isolated tissues of Mouse vas deferens (MVD). | 7658453 |
| Delta-type opioid receptor | Ki | = | 90.0 | nM | 7.05 | Inhibition against delta-opioid receptor using [3H]DPDPE radioligand. | 7658453 |
| Delta-type opioid receptor | Ki | = | 230.0 | nM | 6.64 | Inhibition against delta-opioid receptor using [3H]DPDPE radioligand. | 7658453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658453 | 10.1021/jm00018a026 | Mus musculus | 6 |
| 7658453 | 10.1021/jm00018a026 | Mu-type opioid receptor | 2 |
| 7658453 | 10.1021/jm00018a026 | Delta-type opioid receptor | 2 |
| 7658453 | 10.1021/jm00018a026 | Cavia porcellus | 2 |
| 7658453 | 10.1021/jm00018a026 | Oryctolagus cuniculus | 2 |
| 7658453 | 10.1021/jm00018a026 | Opioid receptors; mu & delta | 2 |
Data from ChEMBL 36 via Core Engine