Compound Detail
CHEMBL3923831
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Basic Information
| ChEMBL ID | CHEMBL3923831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNAHUZTWOVOCTL-JTWAHMQWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
1.85
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 3 meas. best 8.07
EC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.07 | 8.07 | 8.4 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.54 | 7.54 | 28.5 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.93 | 6.93 | 118.4 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 6.21 | 6.21 | 624.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.37 | 5.37 | 4297.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 8.44 | nM | 8.07 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
| Mu-type opioid receptor | EC50 | = | 28.5 | nM | 7.54 | HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay: Briefly, suspensions... | - |
| Kappa-type opioid receptor | Ki | = | 118.38 | nM | 6.93 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
| Kappa-type opioid receptor | EC50 | = | 624.0 | nM | 6.21 | HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay: Briefly, suspensions... | - |
| Delta-type opioid receptor | Ki | = | 4297.0 | nM | 5.37 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
Data from ChEMBL 36 via Core Engine