Compound Detail
CHEMBL479652
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Basic Information
| ChEMBL ID | CHEMBL479652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYLWKIBFKJRZRI-DEOSSOPVSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
5.50
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | Ki | 8.5 | 8.5 | 3.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1328.0 | ng.hr/g | Rattus norvegicus |
| Cmax | 237.0 | ng/g | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | Ki | = | 3.162 | nM | 8.5 | Binding affinity to NK3 receptor | 19117759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19117759 | 10.1016/j.bmcl.2008.12.005 | Brain | 2 |
| 19117759 | 10.1016/j.bmcl.2008.12.005 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine