Compound Detail
CHEMBL153661
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Basic Information
| ChEMBL ID | CHEMBL153661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWNSMXSJISKBRB-ATNAJCNCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
3.94
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 6.33 | 6.33 | 473.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 473.0 | nM | 6.33 | Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radiolig... | 2831363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2831363 | 10.1021/jm00398a011 | Mu-type opioid receptor | 3 |
| 2831363 | 10.1021/jm00398a011 | Kappa-type opioid receptor | 3 |
| 2831363 | 10.1021/jm00398a011 | Mus musculus | 1 |
| 2831363 | 10.1021/jm00398a011 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine