Compound Detail
CHEMBL2114291
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Basic Information
| ChEMBL ID | CHEMBL2114291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTYYYARFZLUVMG-KXBFYZLASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
3.47
ALogP
3
HBA
0
HBD
43.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 4.72 | 4.72 | 19100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.67 | nM | 9.17 | Affinity to opioid receptor kappa 1 using [3H]U-69593 as radioligand in homogena... | 11495592 |
| Mu-type opioid receptor | Ki | = | 19100.0 | nM | 4.72 | Affinity to mu-receptor, using [3H]DAMGO as radioligand in homogenates of guinea... | 11495592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11495592 | 10.1021/jm0108395 | Kappa-type opioid receptor | 1 |
| 11495592 | 10.1021/jm0108395 | Mu-type opioid receptor | 1 |
| 11495592 | 10.1021/jm0108395 | Unchecked | 1 |
| 11495592 | 10.1021/jm0108395 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine