Compound Detail
CHEMBL4207167
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Basic Information
| ChEMBL ID | CHEMBL4207167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHSQUTOUXRPUSB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
4.76
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| G_PROTEIN_RECEP_F1_2 domain-containing protein CHEMBL4295527 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins... | 29477074 |
| Mu-type opioid receptor | Ki | = | 0.64 | nM | 9.19 | Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins b... | 29477074 |
| G_PROTEIN_RECEP_F1_2 domain-containing protein | Ki | = | 21.0 | nM | 7.68 | Displacement of [3H]Naltrindole from DOR in guinea pig brain membranes after 3 h... | 29477074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 29477074 | 10.1016/j.ejmech.2018.02.046 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine