Compound Detail
CHEMBL5802993
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Basic Information
| ChEMBL ID | CHEMBL5802993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRPYXZPGAIQTFL-LLVKDONJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.34
ALogP
5
HBA
0
HBD
64.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.38
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.38 | 7.38 | 42.0 | 2 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 42.0 | nM | 7.38 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | Ki | = | 42.0 | nM | 7.38 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | IC50 | = | 52.0 | nM | 7.28 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Substance-K receptor | Ki | = | 31000.0 | nM | 4.51 | Binding Assay: The affinity of compounds of the invention for the NK-2 receptor ... | - |
Data from ChEMBL 36 via Core Engine