Compound Detail
CHEMBL338393
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Basic Information
| ChEMBL ID | CHEMBL338393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKGHAUDWGMFVJT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
4.57
ALogP
4
HBA
0
HBD
35.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.36 | 8.36 | 4.3 | 2 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.59 | 7.59 | 25.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 4.34 | nM | 8.36 | Binding affinity against opioid receptor kappa 1 from human cloned receptor | 12930147 |
| Kappa-type opioid receptor | Ki | = | 4.365 | nM | 8.36 | Binding constant towards human Opioid receptor kappa 1 was reported | 12930147 |
| Kappa-type opioid receptor | Ki | = | 25.7 | nM | 7.59 | Binding affinity determined against Opioid receptor kappa 1 from a native recept... | 12930147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930147 | 10.1021/jm0307640 | Kappa-type opioid receptor | 3 |
Data from ChEMBL 36 via Core Engine