Compound Detail
CHEMBL41245
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Basic Information
| ChEMBL ID | CHEMBL41245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHUDYFAESCLJTD-MSOLQXFVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
2.14
ALogP
3
HBA
4
HBD
68.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.07 | 7.07 | 85.5 | 2 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.8 | 6.8 | 159.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 85.5 | nM | 7.07 | Binding affinity for mu opioid receptor | 12699761 |
| Mu-type opioid receptor | Ki | = | 85.5 | nM | 7.07 | Binding affinity for mu opioid receptor | 12699761 |
| Delta-type opioid receptor | Ki | = | 159.0 | nM | 6.8 | Binding affinity for delta opioid receptor | 12699761 |
| Delta-type opioid receptor | Ki | = | 159.0 | nM | 6.8 | Binding affinity for delta opioid receptor | 12699761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699761 | 10.1016/s0960-894x(03)00194-x | Mu-type opioid receptor | 2 |
| 12699761 | 10.1016/s0960-894x(03)00194-x | Delta-type opioid receptor | 2 |
| 12699761 | 10.1016/s0960-894x(03)00194-x | Kappa-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine