Compound Detail
CHEMBL295237
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Basic Information
| ChEMBL ID | CHEMBL295237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDUCOIQQNZJWTI-VDZJLULYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.45
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.16 | 6.16 | 690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 2.5 | nM | 8.6 | Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radiolig... | 14695830 |
| Mu-type opioid receptor | Ki | = | 20.0 | nM | 7.7 | Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in ... | 14695830 |
| Delta-type opioid receptor | Ki | = | 690.0 | nM | 6.16 | Binding affinity against opioid receptor delta 1 using [3H]naltrindole as radiol... | 14695830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695830 | 10.1021/jm0304156 | Mu-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Delta-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Kappa-type opioid receptor | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; mu & delta | 1 |
| 14695830 | 10.1021/jm0304156 | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine