Compound Detail
CHEMBL5925757
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Basic Information
| ChEMBL ID | CHEMBL5925757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZKGDOQKRXGMMD-MRVPVSSYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.8
MW (Da)
4.43
ALogP
6
HBA
0
HBD
63.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.85
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.85 | 7.85 | 14.0 | 2 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Substance-P receptor CHEMBL249 | Ki | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 14.0 | nM | 7.85 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | Ki | = | 14.0 | nM | 7.85 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Neuromedin-K receptor | IC50 | = | 23.0 | nM | 7.64 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
| Substance-K receptor | Ki | = | 1500.0 | nM | 5.82 | Binding Assay: The affinity of compounds of the invention for the NK-2 receptor ... | - |
| Substance-P receptor | Ki | = | 9400.0 | nM | 5.03 | Binding Assay: The affinity of compounds of the invention for the NK-1 receptor ... | - |
Data from ChEMBL 36 via Core Engine