Compound Detail
CHEMBL4112541
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 | CHEMBL4112541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCZKUNSWQCVDIE-MRXNPFEDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
4.13
ALogP
6
HBA
0
HBD
77.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Ki 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | Ki | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 51.0 | nM | 7.29 | Aequorin Functional Assay: Changes in intracellular calcium levels are a recogni... | - |
| Neuromedin-K receptor | Ki | = | 51.0 | nM | 7.29 | Binding Competition Assay: The ability of compounds of the invention to inhibit ... | - |
Data from ChEMBL 36 via Core Engine