Compound Detail
CHEMBL554205
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Basic Information
| ChEMBL ID | CHEMBL554205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGMRWTMJFXQNLD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195280 |
| Active Moiety | CHEMBL1195280 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
2.66
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 10000.0 | nM | 5.0 | Binding affinity towards opioid receptor mu was determined | 2567782 |
| Kappa-type opioid receptor | Ki | = | 25000.0 | nM | 4.6 | Binding affinity towards opioid receptor kappa was determined | 2567782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2567782 | 10.1021/jm00127a036 | Mu-type opioid receptor | 2 |
| 2567782 | 10.1021/jm00127a036 | Kappa-type opioid receptor | 1 |
| 2567782 | 10.1021/jm00127a036 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine