Compound Detail
CHEMBL3422011
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Basic Information
| ChEMBL ID | CHEMBL3422011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWTVMVHFJRFVFO-ZDUSSCGKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
4.66
ALogP
7
HBA
0
HBD
63.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 316.23 | nM | 6.5 | Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell ... | 25738882 |
| Neuromedin-K receptor | IC50 | = | 501.19 | nM | 6.3 | Antagonist activity at recombinant human NK3R expressed in CHO cells assessed as... | 25738882 |
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