Compound Detail
CHEMBL6036450
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Basic Information
| ChEMBL ID | CHEMBL6036450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCZPKWYLAIALPV-SNVBAGLBSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.87
ALogP
7
HBA
0
HBD
81.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 150.0 | nM | 6.82 | Competitive Binding Assays NK-3 receptor: The affinity of compounds of the inven... | - |
| Neuromedin-K receptor | IC50 | = | 170.0 | nM | 6.77 | Aequorin Assay with Human NK-3 Receptor: Changes in intracellular calcium levels... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 59000.0 | nM | 4.23 | hERG Inhibition Assay: The human ether-a-go-go related gene (hERG) encodes the i... | - |
Data from ChEMBL 36 via Core Engine