Compound Detail
CHEMBL430952
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CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL430952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYHSUKFYEJIWBW-VXPBITRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
4.26
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.37 | 6.37 | 425.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 425.0 | nM | 6.37 | 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