Compound Detail
CHEMBL94577
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Basic Information
| ChEMBL ID | CHEMBL94577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYGCDUIYVJIDQQ-JMRRQPBMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.5
MW (Da)
3.40
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.16 | 8.16 | 6.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2.6 | nM | 8.59 | Binding affinity towards mu-opioid receptor by the displacement of [3H]Nal in ra... | 8410999 |
| Kappa-type opioid receptor | Ki | = | 6.9 | nM | 8.16 | Binding affinity towards kappa opioid receptor by displacement of [3H]EKC in gui... | 8410999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410999 | 10.1021/jm00072a002 | Kappa-type opioid receptor | 3 |
| 8410999 | 10.1021/jm00072a002 | Mu-type opioid receptor | 2 |
| 8410999 | 10.1021/jm00072a002 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine