Compound Detail
CHEMBL6015371
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Basic Information
| ChEMBL ID | CHEMBL6015371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEMCWLJFPLEFSC-LLVKDONJSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.8
MW (Da)
3.86
ALogP
5
HBA
0
HBD
64.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.42
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.42 | 7.42 | 38.0 | 2 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Substance-P receptor CHEMBL249 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 38.0 | nM | 7.42 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | Ki | = | 38.0 | nM | 7.42 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | IC50 | = | 53.0 | nM | 7.28 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Substance-P receptor | Ki | = | 13000.0 | nM | 4.89 | Binding Assay: The affinity of compounds of the invention for the NK-1 receptor ... | - |
| Substance-K receptor | Ki | = | 14000.0 | nM | 4.85 | Binding Assay: The affinity of compounds of the invention for the NK-2 receptor ... | - |
Data from ChEMBL 36 via Core Engine