Compound Detail
CHEMBL6053604
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Basic Information
| ChEMBL ID | CHEMBL6053604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJUWQZAEPLRGCJ-SSDOTTSWSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
0.91
ALogP
6
HBA
1
HBD
68.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.29
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.29 | 7.29 | 51.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 51.0 | nM | 7.29 | Aequorin Assay with Human NK-3 Receptor: The antagonist activity of compounds of... | - |
| Neuromedin-K receptor | Ki | = | 51.0 | nM | 7.29 | Aequorin Assay with Human NK-3 Receptor: The antagonist activity of compounds of... | - |
| Neuromedin-K receptor | Ki | = | 51.0 | nM | 7.29 | Binding Competition Assay: NK3: The ability of compounds of the invention to inh... | - |
Data from ChEMBL 36 via Core Engine