Compound Detail
CHEMBL416641
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C[C@@](Cc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)NC(Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL416641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOKNUQNDLIUBIZ-JVHFYALYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
2.27
ALogP
4
HBA
4
HBD
121.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 5.23 | 5.23 | 5890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 5890.0 | nM | 5.23 | Displacement of [125I][MePhe]-NKB from human NK3 receptor expressed in CHO cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80360-1 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine