Compound Detail
CHEMBL4115179
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4115179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQMSMVVVIQFBKB-SECBINFHSA-N |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.47
ALogP
8
HBA
0
HBD
86.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.07
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.07 | 7.07 | 85.0 | 4 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.96 | 6.96 | 110.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 85.0 | nM | 7.07 | Competitive Binding Assay: The affinity of compounds of the invention for the hu... | - |
| Neuromedin-K receptor | Ki | = | 85.0 | nM | 7.07 | Competitive Binding Assays NK-3 receptor: The affinity of compounds of the inven... | - |
| Neuromedin-K receptor | Ki | = | 85.0 | nM | 7.07 | Binding Competition Assay: Human NK-3: The ability of compounds of the invention... | - |
| Neuromedin-K receptor | Ki | = | 85.0 | nM | 7.07 | Competitive Binding Assays: The affinity of compounds of the invention for the h... | - |
| Neuromedin-K receptor | IC50 | = | 110.0 | nM | 6.96 | Functional Assay: Chinese Hamster Ovary recombinant cells expressing the human N... | - |
| Neuromedin-K receptor | IC50 | = | 110.0 | nM | 6.96 | Aequorin Assay with Human NK-3 Receptor: Changes in intracellular calcium levels... | - |
| Neuromedin-K receptor | IC50 | = | 110.0 | nM | 6.96 | Aequorin Assay with Human NK-3 Receptor: Changes in intracellular calcium levels... | - |
Data from ChEMBL 36 via Core Engine