Compound Detail
CHEMBL27432
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Basic Information
| ChEMBL ID | CHEMBL27432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXAWSSWYWHHUAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.7
MW (Da)
5.68
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 5.21 | 5.21 | 6236.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 1.8 | nM | 8.74 | Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cell... | 10340623 |
| Mu-type opioid receptor | IC50 | = | 6236.0 | nM | 5.21 | Binding affinity towards mu opioid receptor using [3H]- -DAMGO (1.5 nM) as radio... | 10340623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340623 | 10.1016/s0960-894x(99)00174-2 | Delta-type opioid receptor | 1 |
| 10340623 | 10.1016/s0960-894x(99)00174-2 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine