Compound Detail
CHEMBL419500
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 | CHEMBL419500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLNYLINBEZROPL-WUFINQPMSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
5.08
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.48 | 6.9867 | 0.3 | 3 |
| Substance-P receptor CHEMBL3942 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Substance-P receptor CHEMBL4027 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.33 | nM | 9.48 | Inhibitory concentration against tachykinin receptor 1 | 16220969 |
| Substance-P receptor | IC50 | = | 10.0 | nM | 8.0 | Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral co... | - |
| Substance-P receptor | IC50 | = | 41.0 | nM | 7.39 | Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-su... | 1378901 |
| Substance-P receptor | IC50 | = | 800.0 | nM | 6.1 | Binding affinity towards Tachykinin receptor 1 in rat cerebral cortex membranes ... | - |
| Substance-P receptor | IC50 | = | 81000.0 | nM | 4.09 | Antagonist activity at His6-tagged NK1 receptor (unknown origin) expressed in CH... | 28710964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81197-5 | Substance-P receptor | 3 |
| 1378901 | 10.1021/jm00092a009 | Cavia porcellus | 2 |
| 1378901 | 10.1021/jm00092a009 | Substance-P receptor | 1 |
| 1378901 | 10.1021/jm00092a009 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)81197-5 | Substance-K receptor | 1 |
| - | 10.1016/S0960-894X(01)81197-5 | Neuromedin-K receptor | 1 |
| 16220969 | 10.1021/jm058225d | Substance-P receptor | 1 |
| 16220969 | 10.1021/jm058225d | Substance-K receptor | 1 |
| 28710964 | 10.1016/j.ejmech.2017.06.056 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine