Compound Detail
CHEMBL6054931
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Basic Information
| ChEMBL ID | CHEMBL6054931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFRZDWFDUJBSGN-SECBINFHSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
2.03
ALogP
8
HBA
1
HBD
97.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 100.0 | nM | 7.0 | Competitive Binding Assays: The affinity of compounds of the invention for the h... | - |
| Neuromedin-K receptor | IC50 | = | 220.0 | nM | 6.66 | Aequorin Assay with Human NK-3 Receptor: Changes in intracellular calcium levels... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 70000.0 | nM | 4.16 | hERG Inhibition Assay: The human ether-a-go-go related gene (hERG) encodes the i... | - |
Data from ChEMBL 36 via Core Engine