Compound Detail
CHEMBL279050
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Basic Information
| ChEMBL ID | CHEMBL279050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGUDXLHTEUZZSX-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.40
ALogP
3
HBA
2
HBD
68.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 5.81 | 5.81 | 1533.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 1533.0 | nM | 5.81 | Tested against cloned human NK1 receptor by displacement of 125 I -labeled subst... | 8393115 |
| Substance-P receptor | IC50 | = | 1533.0 | nM | 5.81 | Binding affinity towards cloned neurokinin 1 receptor, based on the displacement... | 7513763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8393115 | 10.1021/jm00066a015 | Substance-P receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Substance-P receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Substance-K receptor | 1 |
| 7513763 | 10.1021/jm00035a006 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine