Compound Detail
CHEMBL293485
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Basic Information
| ChEMBL ID | CHEMBL293485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGFSHBJYIASPNJ-JUJMCKSGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
3.21
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.7 | 6.7 | 200.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 200.0 | nM | 6.7 | Binding affinity was determined towards opioid receptor kappa 1 using [3H]U-6959... | 12749896 |
| Mu-type opioid receptor | Ki | = | 550.0 | nM | 6.26 | Binding affinity was determined towards opioid receptor mu1 using [3H]DAMGO as r... | 12749896 |
| Delta-type opioid receptor | Ki | = | 6200.0 | nM | 5.21 | Binding affinity was determined towards Opioid receptor delta 1 using [3H]naltri... | 12749896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12749896 | 10.1016/s0960-894x(03)00295-6 | Mu-type opioid receptor | 1 |
| 12749896 | 10.1016/s0960-894x(03)00295-6 | Delta-type opioid receptor | 1 |
| 12749896 | 10.1016/s0960-894x(03)00295-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine