Compound Detail
CHEMBL2448883
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Basic Information
| ChEMBL ID | CHEMBL2448883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OROGSEYTTFOCAN-SQXROVMKSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
1.50
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.71
EC50 1 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 5.71 | 5.71 | 1953.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.98 | 4.98 | 10418.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 4.55 | 4.55 | 28067.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1953.0 | nM | 5.71 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
| Mu-type opioid receptor | EC50 | = | 10418.0 | nM | 4.98 | HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay: Briefly, suspensions... | - |
| Kappa-type opioid receptor | Ki | = | 28067.0 | nM | 4.55 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24249037 | 10.1007/s11095-013-1232-z | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine