Compound Detail
CHEMBL3421996
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Basic Information
| ChEMBL ID | CHEMBL3421996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAGQWANPYNJYDI-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.9
MW (Da)
3.04
ALogP
6
HBA
1
HBD
92.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.8
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
| Neuromedin-K receptor CHEMBL4429 | Ki | 5.8 | 5.66 | 1584.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 1584.89 | nM | 5.8 | Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as... | 25738882 |
| Neuromedin-K receptor | Ki | = | 1584.89 | nM | 5.8 | Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell ... | 25738882 |
| Neuromedin-K receptor | Ki | = | 3000.0 | nM | 5.52 | 3H-SB222200 Binding Competition Assay with Human NK-3 Receptor: The ability of t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25738882 | 10.1021/jm5017413 | Neuromedin-K receptor | 2 |
| 25738882 | 10.1021/jm5017413 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine