Compound Detail
CHEMBL4112531
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Basic Information
| ChEMBL ID | CHEMBL4112531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGKUVYHGLKSCMQ-CQSZACIVSA-N |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
4.76
ALogP
7
HBA
0
HBD
77.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.96
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.96 | 7.96 | 11.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 9.0 | nM | 8.05 | Aequorin Functional Assay: Changes in intracellular calcium levels are a recogni... | - |
| Neuromedin-K receptor | IC50 | = | 9.0 | nM | 8.05 | Aequorin Assay with Human NK-3 Receptor: The antagonist activity of compounds of... | - |
| Neuromedin-K receptor | Ki | = | 11.0 | nM | 7.96 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | Ki | = | 11.0 | nM | 7.96 | Aequorin Assay with Human NK-3 Receptor: The antagonist activity of compounds of... | - |
| Neuromedin-K receptor | Ki | = | 11.0 | nM | 7.96 | Competitive Binding Assay: NK3: The ability of compounds of the invention to inh... | - |
| Neuromedin-K receptor | Ki | = | 11.0 | nM | 7.96 | Binding Competition Assay: NK3: The ability of compounds of the invention to inh... | - |
Data from ChEMBL 36 via Core Engine