Compound Detail
CHEMBL2441368
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 | CHEMBL2441368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXSIGVYNQDLODQ-SFTDATJTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.05
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.17 | nM | 9.77 | Antagonist activity at NK1 receptor (unknown origin) | 24075145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24075145 | 10.1016/j.bmc.2013.09.001 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine