Compound Detail
CHEMBL105984
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Basic Information
| ChEMBL ID | CHEMBL105984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQRRYJUZESLMDP-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
4.26
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 7.41 | 7.41 | 38.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 16.1 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 38.7 | nM | 7.41 | Binding affinity against opioid receptor kappa, in guinea pig brain membrane, us... | 1659636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1659636 | 10.1021/jm00115a001 | Kappa-type opioid receptor | 3 |
| 1659636 | 10.1021/jm00115a001 | Mus musculus | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine