Compound Detail
CHEMBL4060120
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Basic Information
| ChEMBL ID | CHEMBL4060120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYPMWPBSHKBJME-SLZNLQLDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
4.17
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 5.99 | 5.99 | 1036.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 5.66 | 5.66 | 2190.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 5.64 | 5.64 | 2276.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1036.0 | nM | 5.99 | Displacement of [3H]-DAMGO from MOR in rat brain membranes by liquid scintillati... | 28734666 |
| Delta-type opioid receptor | Ki | = | 2190.0 | nM | 5.66 | Displacement of [3H]-DPDPE from DOR in rat brain membranes by liquid scintillati... | 28734666 |
| Kappa-type opioid receptor | Ki | = | 2276.0 | nM | 5.64 | Displacement of [3H]-(+)-U69,593 from KOR in guinea pig brain membranes by liqui... | 28734666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28734666 | 10.1016/j.bmc.2017.07.021 | Mu-type opioid receptor | 1 |
| 28734666 | 10.1016/j.bmc.2017.07.021 | Delta-type opioid receptor | 1 |
| 28734666 | 10.1016/j.bmc.2017.07.021 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine