Compound Detail
CHEMBL4110373
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Basic Information
| ChEMBL ID | CHEMBL4110373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBDRANYVHASQNW-WICKCUDESA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
1.21
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
EC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.8 | 7.8 | 15.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.07 | 7.07 | 85.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.35 | 6.35 | 444.5 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 5.92 | 5.92 | 1189.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.57 | 5.57 | 2723.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 15.72 | nM | 7.8 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
| Mu-type opioid receptor | EC50 | = | 85.0 | nM | 7.07 | HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay: Briefly, suspensions... | - |
| Kappa-type opioid receptor | Ki | = | 444.54 | nM | 6.35 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
| Kappa-type opioid receptor | EC50 | = | 1189.0 | nM | 5.92 | HiRange Homogenous Time-Resolved Fluorescence (HTRF) Assay: Briefly, suspensions... | - |
| Delta-type opioid receptor | Ki | = | 2723.0 | nM | 5.57 | Scintillation Proximity Assay (SPA): Briefly, serial dilutions of the test compo... | - |
Data from ChEMBL 36 via Core Engine