Compound Detail
CHEMBL5963704
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Basic Information
| ChEMBL ID | CHEMBL5963704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGNKOQCRHUJLFY-SNVBAGLBSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.3
MW (Da)
3.48
ALogP
5
HBA
0
HBD
64.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.13 | 7.13 | 74.0 | 2 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 74.0 | nM | 7.13 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | Ki | = | 74.0 | nM | 7.13 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | IC50 | = | 99.0 | nM | 7.0 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
Data from ChEMBL 36 via Core Engine