Compound Detail
CHEMBL275259
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Basic Information
| ChEMBL ID | CHEMBL275259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKVYTKVBSRSKRX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
7.45
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.34 | 7.3133 | 45.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 45.3 | nM | 7.34 | Binding affinity towards cloned human Tachykinin receptor 3 (hNK-3) expressed in... | 10090788 |
| Neuromedin-K receptor | Ki | = | 50.12 | nM | 7.3 | Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells... | 21047106 |
| Neuromedin-K receptor | Ki | = | 50.12 | nM | 7.3 | Binding affinity to human NK3 receptor expressed in CHO cells | 22056747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090788 | 10.1021/jm980633c | Neuromedin-K receptor | 1 |
| 21047106 | 10.1021/jm1010012 | Neuromedin-K receptor | 1 |
| 22056747 | 10.1016/j.bmcl.2011.10.014 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine