Compound Detail
CHEMBL4209962
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Basic Information
| ChEMBL ID | CHEMBL4209962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGMIZUFIKMQITG-VHSSKADRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
2.94
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL4295551 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Mu-type opioid receptor CHEMBL5799 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| G_PROTEIN_RECEP_F1_2 domain-containing protein CHEMBL4295544 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 1.4 | nM | 8.85 | Displacement of [3H]U69,593 from KOR in monkey brain cortex membranes | 29477074 |
| Mu-type opioid receptor | Ki | = | 4.6 | nM | 8.34 | Displacement of [3H]DAMGO from MOR in monkey brain cortex membranes | 29477074 |
| G_PROTEIN_RECEP_F1_2 domain-containing protein | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]naltrindole from DOR in monkey brain cortex membranes | 29477074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29477074 | 10.1016/j.ejmech.2018.02.046 | Mus musculus | 3 |
| 29477074 | 10.1016/j.ejmech.2018.02.046 | Kappa-type opioid receptor | 1 |
| 29477074 | 10.1016/j.ejmech.2018.02.046 | Mu-type opioid receptor | 1 |
| 29477074 | 10.1016/j.ejmech.2018.02.046 | G_PROTEIN_RECEP_F1_2 domain-containing protein | 1 |
Data from ChEMBL 36 via Core Engine